3-[3-(4-methylphenyl)sulfanylpropanoylamino]benzoic acid

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)SCCC(=O)NC2=CC=CC(=C2)C(=O)O

Isomeric SMILES

CC1=CC=C(C=C1)SCCC(=O)NC2=CC=CC(=C2)C(=O)O

InChI

InChI=1S/C17H17NO3S/c1-12-5-7-15(8-6-12)22-10-9-16(19)18-14-4-2-3-13(11-14)17(20)21/h2-8,11H,9-10H2,1H3,(H,18,19)(H,20,21)