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

Systemtic Name: 4-(4-methylphenyl)sulfanyl-3-(propanoylamino)benzoic acid Openeye Name: 3-(propanoylamino)-4-(p-tolylsulfanyl)benzoic acid CAS Name: 4-[(4-methylphenyl)thio]-3-(1-oxopropylamino)benzoic acid IUPAC Name: 4-(4-methylphenyl)sulfanyl-3-(propanoylamino)benzoic acid Traditional Name: 3-propionamido-4-(p-tolylthio)benzoic acid Formula: C17H17NO3S MolecularWeight: 315.38678

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Descriptors Computed from Structure

Canonical SMILES:

CCC(=O)NC1=C(C=CC(=C1)C(=O)O)SC2=CC=C(C=C2)C

Isomeric SMILES

CCC(=O)NC1=C(C=CC(=C1)C(=O)O)SC2=CC=C(C=C2)C

InChI

InChI=1S/C17H17NO3S/c1-3-16(19)18-14-10-12(17(20)21)6-9-15(14)22-13-7-4-11(2)5-8-13/h4-10H,3H2,1-2H3,(H,18,19)(H,20,21)