3-acetamido-4-(4-methylphenyl)sulfanyl-benzoic acid

Systemtic Name: 3-acetamido-4-(4-methylphenyl)sulfanyl-benzoic acid Openeye Name: 3-acetamido-4-(p-tolylsulfanyl)benzoic acid CAS Name: 3-acetamido-4-[(4-methylphenyl)thio]benzoic acid IUPAC Name: 3-acetamido-4-(4-methylphenyl)sulfanylbenzoic acid Traditional Name: 3-acetamido-4-(p-tolylthio)benzoic acid Formula: C16H15NO3S MolecularWeight: 301.3602

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)SC2=C(C=C(C=C2)C(=O)O)NC(=O)C

Isomeric SMILES

CC1=CC=C(C=C1)SC2=C(C=C(C=C2)C(=O)O)NC(=O)C

InChI

InChI=1S/C16H15NO3S/c1-10-3-6-13(7-4-10)21-15-8-5-12(16(19)20)9-14(15)17-11(2)18/h3-9H,1-2H3,(H,17,18)(H,19,20)