2-[4-(carboxycarbonylamino)-6-methyl-7-oxidanylidene-cyclohepta-1,3,5-trien-1-yl]sulfanylbenzoic acid

Systemtic Name: 2-[4-(carboxycarbonylamino)-6-methyl-7-oxidanylidene-cyclohepta-1,3,5-trien-1-yl]sulfanylbenzoic acid Openeye Name: 2-[6-methyl-4-(oxaloamino)-7-oxo-cyclohepta-1,3,5-trien-1-yl]sulfanylbenzoic acid CAS Name: 2-[[6-methyl-4-(oxaloamino)-7-oxo-1-cyclohepta-1,3,5-trienyl]thio]benzoic acid IUPAC Name: 2-[6-methyl-4-(oxaloamino)-7-oxocyclohepta-1,3,5-trien-1-yl]sulfanylbenzoic acid Traditional Name: 2-[[7-keto-6-methyl-4-(oxaloamino)cyclohepta-1,3,5-trien-1-yl]thio]benzoic acid Formula: C17H13NO6S MolecularWeight: 359.35322

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C(C1=O)SC2=CC=CC=C2C(=O)O)NC(=O)C(=O)O

Isomeric SMILES

CC1=CC(=CC=C(C1=O)SC2=CC=CC=C2C(=O)O)NC(=O)C(=O)O

InChI

InChI=1S/C17H13NO6S/c1-9-8-10(18-15(20)17(23)24)6-7-13(14(9)19)25-12-5-3-2-4-11(12)16(21)22/h2-8H,1H3,(H,18,20)(H,21,22)(H,23,24)