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

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

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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