(2-oxidanylidene-2-phenylazanyl-ethyl) 3-phenylsulfanylpropanoate

Systemtic Name: (2-oxidanylidene-2-phenylazanyl-ethyl) 3-phenylsulfanylpropanoate Openeye Name: (2-anilino-2-oxo-ethyl) 3-phenylsulfanylpropanoate CAS Name: 3-(phenylthio)propanoic acid (2-anilino-2-oxoethyl) ester IUPAC Name: (2-anilino-2-oxoethyl) 3-phenylsulfanylpropanoate Traditional Name: 3-(phenylthio)propionic acid (2-anilino-2-keto-ethyl) ester Formula: C17H17NO3S MolecularWeight: 315.38678

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)NC(=O)COC(=O)CCSC2=CC=CC=C2

Isomeric SMILES

C1=CC=C(C=C1)NC(=O)COC(=O)CCSC2=CC=CC=C2

InChI

InChI=1S/C17H17NO3S/c19-16(18-14-7-3-1-4-8-14)13-21-17(20)11-12-22-15-9-5-2-6-10-15/h1-10H,11-13H2,(H,18,19)