methyl 2-[3-(phenylmethylsulfanyl)propanoylamino]benzoate

Systemtic Name: methyl 2-[3-(phenylmethylsulfanyl)propanoylamino]benzoate Openeye Name: methyl 2-(3-benzylsulfanylpropanoylamino)benzoate CAS Name: 2-[[1-oxo-3-(phenylmethylthio)propyl]amino]benzoic acid methyl ester IUPAC Name: methyl 2-(3-benzylsulfanylpropanoylamino)benzoate Traditional Name: 2-[3-(benzylthio)propanoylamino]benzoic acid methyl ester Formula: C18H19NO3S MolecularWeight: 329.41336

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=CC=C1NC(=O)CCSCC2=CC=CC=C2

Isomeric SMILES

COC(=O)C1=CC=CC=C1NC(=O)CCSCC2=CC=CC=C2

InChI

InChI=1S/C18H19NO3S/c1-22-18(21)15-9-5-6-10-16(15)19-17(20)11-12-23-13-14-7-3-2-4-8-14/h2-10H,11-13H2,1H3,(H,19,20)