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

Systemtic Name: (2-azanyl-2-oxidanylidene-ethyl) 3-(4-methylphenyl)sulfanylpropanoate Openeye Name: (2-amino-2-oxo-ethyl) 3-(p-tolylsulfanyl)propanoate CAS Name: 3-[(4-methylphenyl)thio]propanoic acid (2-amino-2-oxoethyl) ester IUPAC Name: (2-amino-2-oxoethyl) 3-(4-methylphenyl)sulfanylpropanoate Traditional Name: 3-(p-tolylthio)propionic acid (2-amino-2-keto-ethyl) ester Formula: C12H15NO3S MolecularWeight: 253.3174

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)SCCC(=O)OCC(=O)N

Isomeric SMILES

CC1=CC=C(C=C1)SCCC(=O)OCC(=O)N

InChI

InChI=1S/C12H15NO3S/c1-9-2-4-10(5-3-9)17-7-6-12(15)16-8-11(13)14/h2-5H,6-8H2,1H3,(H2,13,14)