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

Systemtic Name: 3-methyl-4-[3-(4-methylphenyl)sulfanylpropanoylamino]benzoic acid Openeye Name: 3-methyl-4-[3-(p-tolylsulfanyl)propanoylamino]benzoic acid CAS Name: 3-methyl-4-[[3-[(4-methylphenyl)thio]-1-oxopropyl]amino]benzoic acid IUPAC Name: 3-methyl-4-[3-(4-methylphenyl)sulfanylpropanoylamino]benzoic acid Traditional Name: 3-methyl-4-[3-(p-tolylthio)propanoylamino]benzoic acid Formula: C18H19NO3S MolecularWeight: 329.41336

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H19NO3S/c1-12-3-6-15(7-4-12)23-10-9-17(20)19-16-8-5-14(18(21)22)11-13(16)2/h3-8,11H,9-10H2,1-2H3,(H,19,20)(H,21,22)