6,7-dimethoxy-1-(3-thiophen-3-ylphenyl)carbonyl-isoquinoline-4-carboxylic acid

Systemtic Name: 6,7-dimethoxy-1-(3-thiophen-3-ylphenyl)carbonyl-isoquinoline-4-carboxylic acid Openeye Name: 6,7-dimethoxy-1-[3-(3-thienyl)benzoyl]isoquinoline-4-carboxylic acid CAS Name: 6,7-dimethoxy-1-[oxo-[3-(3-thiophenyl)phenyl]methyl]-4-isoquinolinecarboxylic acid IUPAC Name: 6,7-dimethoxy-1-(3-thiophen-3-ylbenzoyl)isoquinoline-4-carboxylic acid Traditional Name: 6,7-dimethoxy-1-[3-(3-thienyl)benzoyl]isoquinoline-4-carboxylic acid Formula: C23H17NO5S MolecularWeight: 419.44978

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C2C(=C1)C(=CN=C2C(=O)C3=CC=CC(=C3)C4=CSC=C4)C(=O)O)OC

Isomeric SMILES

COC1=C(C=C2C(=C1)C(=CN=C2C(=O)C3=CC=CC(=C3)C4=CSC=C4)C(=O)O)OC

InChI

InChI=1S/C23H17NO5S/c1-28-19-9-16-17(10-20(19)29-2)21(24-11-18(16)23(26)27)22(25)14-5-3-4-13(8-14)15-6-7-30-12-15/h3-12H,1-2H3,(H,26,27)