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- ChemComp-U62: 4~{H}-thieno[3,2-c]chromene-2-carboxylic acid -

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Basic information

EntryDatabase: PDB chemical components / ID: U62
NameName: 4~{H}-thieno[3,2-c]chromene-2-carboxylic acid

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Chemical information

Composition
Formula: C12H8O3S / Number of atoms: 24 / Formula weight: 232.255 / Formal charge: 0
Others

7bo2

Type: non-polymer / PDB classification: HETAIN / Three letter code: U62 / Ideal coordinates details: Corina / Model coordinates PDB-ID: 7BO2
History
Create componentJan 25, 2021
Initial releaseMar 2, 2022
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

CACTVS 3.385OC(=O)c1sc2c(COc3ccccc23)c1
OpenEye OEToolkits 2.0.7c1ccc2c(c1)-c3c(cc(s3)C(=O)O)CO2

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SMILES CANONICAL

CACTVS 3.385OC(=O)c1sc2c(COc3ccccc23)c1
OpenEye OEToolkits 2.0.7c1ccc2c(c1)-c3c(cc(s3)C(=O)O)CO2

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InChI

InChI 1.03InChI=1S/C12H8O3S/c13-12(14)10-5-7-6-15-9-4-2-1-3-8(9)11(7)16-10/h1-5H,6H2,(H,13,14)

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InChIKey

InChI 1.03ZMEWPWRPNHFDRC-UHFFFAOYSA-N

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PDB entries

Showing all 1 items

PDB-7bo2:
Notum Fragment_130 (4H-thieno[3,2-c]chromene-2-carboxylic acid)

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