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- ChemComp-UKV: (5Z)-5-[(3-methoxyphenyl)methylidene]-2-sulfanylidene-1,3-thiazol... -

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Basic information

EntryDatabase: PDB chemical components / ID: UKV
NameName: (5Z)-5-[(3-methoxyphenyl)methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one

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Chemical information

Composition
Formula: C11H9NO2S2 / Number of atoms: 25 / Formula weight: 251.325 / Formal charge: 0
Others

6x1y

Type: non-polymer / PDB classification: HETAIN / Three letter code: UKV / Ideal coordinates details: Corina / Model coordinates PDB-ID: 6X1Y
History
Create componentMay 20, 2020
Initial releaseJun 10, 2020
External linksUniChem / ChemSpider / ChEMBL / CompTox / PubChem / SureChEMBL / ZINC / 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 12.01COc2cccc([C@H]=C1C(NC(S1)=S)=O)c2
CACTVS 3.385COc1cccc(c1)C=C2SC(=S)NC2=O
OpenEye OEToolkits 2.0.7COc1cccc(c1)C=C2C(=O)NC(=S)S2

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SMILES CANONICAL

CACTVS 3.385COc1cccc(c1)/C=C/2SC(=S)NC/2=O
OpenEye OEToolkits 2.0.7COc1cccc(c1)/C=C\2/C(=O)NC(=S)S2

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InChI

InChI 1.03InChI=1S/C11H9NO2S2/c1-14-8-4-2-3-7(5-8)6-9-10(13)12-11(15)16-9/h2-6H,1H3,(H,12,13,15)/b9-6-

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InChIKey

InChI 1.03ZXBRDIMYFRPBGK-TWGQIWQCSA-N

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SYSTEMATIC NAME

ACDLabs 12.01(5Z)-5-[(3-methoxyphenyl)methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one
OpenEye OEToolkits 2.0.7(5~{Z})-5-[(3-methoxyphenyl)methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one

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PDB entries

Showing all 1 items

PDB-6x1y:
Mre11 dimer in complex with small molecule modulator PFMI

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