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- ChemComp-RNA: 4-METHYL-N-{(5E)-5-[(5-METHYL-2-FURYL)METHYLENE]-4-OXO-4,5-DIHYDR... -

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Basic information

EntryDatabase: PDB chemical components / ID: RNA
NameName: 4-methyl-N-{(5E)-5-[(5-methyl-2-furyl)methylene]-4-oxo-4,5-dihydro-1,3-thiazol-2-yl}benzenesulfonamide
Synonyms: (Z)-4-METHYL-N-(5-((5-METHYLFURAN-2-YL)METHYLENE)-4-OXO-4,5-DIHYDROTHIAZOL-2-YL)BENZENESULFONAMIDE

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Chemical information

Composition
Formula: C16H14N2O4S2 / Number of atoms: 38 / Formula weight: 362.423 / Formal charge: 0
Others

2hwh

Type: NON-POLYMER / PDB classification: HETAIN / Three letter code: RNA / Model coordinates PDB-ID: 2HWH
History
Create componentAug 2, 2006
Modify descriptorJun 4, 2011
Modify synonymsJun 5, 2020
External linksUniChem / ChemSpider / Wikipedia search / Google search

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Structure visualization

Structure viewerMolecule:
MolmilJmol/JSmol

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Details

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SMILES

ACDLabs 10.04O=C1N=C(S/C1=C\c2oc(cc2)C)NS(=O)(=O)c3ccc(cc3)C
CACTVS 3.341Cc1oc(cc1)C=C2SC(=NC2=O)N[S](=O)(=O)c3ccc(C)cc3
OpenEye OEToolkits 1.5.0Cc1ccc(cc1)S(=O)(=O)NC2=NC(=O)C(=Cc3ccc(o3)C)S2

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SMILES CANONICAL

CACTVS 3.341Cc1oc(cc1)\C=C2/SC(=NC2=O)N[S](=O)(=O)c3ccc(C)cc3
OpenEye OEToolkits 1.5.0Cc1ccc(cc1)S(=O)(=O)NC2=NC(=O)C(=Cc3ccc(o3)C)S2

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InChI

InChI 1.03InChI=1S/C16H14N2O4S2/c1-10-3-7-13(8-4-10)24(20,21)18-16-17-15(19)14(23-16)9-12-6-5-11(2)22-12/h3-9H,1-2H3,(H,17,18,19)/b14-9-

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InChIKey

InChI 1.03MXAPQGDBWFYKKX-ZROIWOOFSA-N

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SYSTEMATIC NAME

ACDLabs 10.044-methyl-N-{(5Z)-5-[(5-methylfuran-2-yl)methylidene]-4-oxo-4,5-dihydro-1,3-thiazol-2-yl}benzenesulfonamide
OpenEye OEToolkits 1.5.04-methyl-N-[5-[(5-methylfuran-2-yl)methylidene]-4-oxo-1,3-thiazol-2-yl]benzenesulfonamide

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PDB entries

Showing all 1 items

PDB-2hwh:
HCV NS5B allosteric inhibitor complex

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