methyl 4-[2-(1-phenylethylsulfanyl)ethanoylamino]benzoate

Systemtic Name: methyl 4-[2-(1-phenylethylsulfanyl)ethanoylamino]benzoate Openeye Name: methyl 4-[[2-(1-phenylethylsulfanyl)acetyl]amino]benzoate CAS Name: 4-[[1-oxo-2-(1-phenylethylthio)ethyl]amino]benzoic acid methyl ester IUPAC Name: methyl 4-[[2-(1-phenylethylsulfanyl)acetyl]amino]benzoate Traditional Name: 4-[[2-(1-phenylethylthio)acetyl]amino]benzoic acid methyl ester Formula: C18H19NO3S MolecularWeight: 329.41336

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C1=CC=CC=C1)SCC(=O)NC2=CC=C(C=C2)C(=O)OC

Isomeric SMILES

CC(C1=CC=CC=C1)SCC(=O)NC2=CC=C(C=C2)C(=O)OC

InChI

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