2-[2-methyl-5-[(3-sulfanylidenecyclohexa-1,5-dien-1-yl)carbonylamino]phenyl]benzoic acid

Systemtic Name: 2-[2-methyl-5-[(3-sulfanylidenecyclohexa-1,5-dien-1-yl)carbonylamino]phenyl]benzoic acid Openeye Name: 2-[2-methyl-5-[(3-thioxocyclohexa-1,5-diene-1-carbonyl)amino]phenyl]benzoic acid CAS Name: 2-[2-methyl-5-[[oxo-(3-sulfanylidene-1-cyclohexa-1,5-dienyl)methyl]amino]phenyl]benzoic acid IUPAC Name: 2-[2-methyl-5-[(3-sulfanylidenecyclohexa-1,5-diene-1-carbonyl)amino]phenyl]benzoic acid Traditional Name: 2-[2-methyl-5-[(3-thioxocyclohexa-1,5-diene-1-carbonyl)amino]phenyl]benzoic acid Formula: C21H17NO3S MolecularWeight: 363.42958

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)NC(=O)C2=CC(=S)CC=C2)C3=CC=CC=C3C(=O)O

Isomeric SMILES

CC1=C(C=C(C=C1)NC(=O)C2=CC(=S)CC=C2)C3=CC=CC=C3C(=O)O

InChI

InChI=1S/C21H17NO3S/c1-13-9-10-15(22-20(23)14-5-4-6-16(26)11-14)12-19(13)17-7-2-3-8-18(17)21(24)25/h2-5,7-12H,6H2,1H3,(H,22,23)(H,24,25)