(2-azanyl-2-oxidanylidene-1-phenyl-ethyl) 3-(4-methylphenyl)sulfanylpropanoate

Systemtic Name: (2-azanyl-2-oxidanylidene-1-phenyl-ethyl) 3-(4-methylphenyl)sulfanylpropanoate Openeye Name: (2-amino-2-oxo-1-phenyl-ethyl) 3-(p-tolylsulfanyl)propanoate CAS Name: 3-[(4-methylphenyl)thio]propanoic acid (2-amino-2-oxo-1-phenylethyl) ester IUPAC Name: (2-amino-2-oxo-1-phenylethyl) 3-(4-methylphenyl)sulfanylpropanoate Traditional Name: 3-(p-tolylthio)propionic acid (2-amino-2-keto-1-phenyl-ethyl) 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)OC(C2=CC=CC=C2)C(=O)N

Isomeric SMILES

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

InChI

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