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

Systemtic Name: 2-(4-azanyl-6-methyl-7-oxidanylidene-cyclohepta-1,3,5-trien-1-yl)sulfanylbenzoic acid Openeye Name: 2-(4-amino-6-methyl-7-oxo-cyclohepta-1,3,5-trien-1-yl)sulfanylbenzoic acid CAS Name: 2-[(4-amino-6-methyl-7-oxo-1-cyclohepta-1,3,5-trienyl)thio]benzoic acid IUPAC Name: 2-(4-amino-6-methyl-7-oxocyclohepta-1,3,5-trien-1-yl)sulfanylbenzoic acid Traditional Name: 2-[(4-amino-7-keto-6-methyl-cyclohepta-1,3,5-trien-1-yl)thio]benzoic acid Formula: C15H13NO3S MolecularWeight: 287.33362

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H13NO3S/c1-9-8-10(16)6-7-13(14(9)17)20-12-5-3-2-4-11(12)15(18)19/h2-8H,16H2,1H3,(H,18,19)