2-[4-[carboxycarbonyl(methyl)amino]-3-oxidanylidene-6-phenyl-cyclohepta-1,4,6-trien-1-yl]sulfanylbenzoic acid

Systemtic Name: 2-[4-[carboxycarbonyl(methyl)amino]-3-oxidanylidene-6-phenyl-cyclohepta-1,4,6-trien-1-yl]sulfanylbenzoic acid Openeye Name: 2-[4-[methyl(oxalo)amino]-3-oxo-6-phenyl-cyclohepta-1,4,6-trien-1-yl]sulfanylbenzoic acid CAS Name: 2-[[4-[methyl(oxalo)amino]-3-oxo-6-phenyl-1-cyclohepta-1,4,6-trienyl]thio]benzoic acid IUPAC Name: 2-[4-[methyl(oxalo)amino]-3-oxo-6-phenylcyclohepta-1,4,6-trien-1-yl]sulfanylbenzoic acid Traditional Name: 2-[[3-keto-4-[methyl(oxalo)amino]-6-phenyl-cyclohepta-1,4,6-trien-1-yl]thio]benzoic acid Formula: C23H17NO6S MolecularWeight: 435.44918

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Descriptors Computed from Structure

Canonical SMILES:

CN(C1=CC(=CC(=CC1=O)SC2=CC=CC=C2C(=O)O)C3=CC=CC=C3)C(=O)C(=O)O

Isomeric SMILES

CN(C1=CC(=CC(=CC1=O)SC2=CC=CC=C2C(=O)O)C3=CC=CC=C3)C(=O)C(=O)O

InChI

InChI=1S/C23H17NO6S/c1-24(21(26)23(29)30)18-12-15(14-7-3-2-4-8-14)11-16(13-19(18)25)31-20-10-6-5-9-17(20)22(27)28/h2-13H,1H3,(H,27,28)(H,29,30)