3-methyl-4-[2-(4-methylphenyl)sulfanylpropanoylamino]benzoic acid

Systemtic Name: 3-methyl-4-[2-(4-methylphenyl)sulfanylpropanoylamino]benzoic acid Openeye Name: 3-methyl-4-[2-(p-tolylsulfanyl)propanoylamino]benzoic acid CAS Name: 3-methyl-4-[[2-[(4-methylphenyl)thio]-1-oxopropyl]amino]benzoic acid IUPAC Name: 3-methyl-4-[2-(4-methylphenyl)sulfanylpropanoylamino]benzoic acid Traditional Name: 3-methyl-4-[2-(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)SC(C)C(=O)NC2=C(C=C(C=C2)C(=O)O)C

Isomeric SMILES

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

InChI

InChI=1S/C18H19NO3S/c1-11-4-7-15(8-5-11)23-13(3)17(20)19-16-9-6-14(18(21)22)10-12(16)2/h4-10,13H,1-3H3,(H,19,20)(H,21,22)