methyl 3-acetamido-4-(4-methylphenyl)sulfanyl-benzoate

Systemtic Name: methyl 3-acetamido-4-(4-methylphenyl)sulfanyl-benzoate Openeye Name: methyl 3-acetamido-4-(p-tolylsulfanyl)benzoate CAS Name: 3-acetamido-4-[(4-methylphenyl)thio]benzoic acid methyl ester IUPAC Name: methyl 3-acetamido-4-(4-methylphenyl)sulfanylbenzoate Traditional Name: 3-acetamido-4-(p-tolylthio)benzoic acid methyl ester Formula: C17H17NO3S MolecularWeight: 315.38678

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H17NO3S/c1-11-4-7-14(8-5-11)22-16-9-6-13(17(20)21-3)10-15(16)18-12(2)19/h4-10H,1-3H3,(H,18,19)