methyl 3-[3-(4-methylphenyl)sulfanylpropanoylamino]benzoate

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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