[2-oxidanylidene-2-[(phenylmethyl)amino]ethyl] 4-(4-methylsulfanylphenyl)-4-oxidanylidene-butanoate

Systemtic Name: [2-oxidanylidene-2-[(phenylmethyl)amino]ethyl] 4-(4-methylsulfanylphenyl)-4-oxidanylidene-butanoate Openeye Name: [2-(benzylamino)-2-oxo-ethyl] 4-(4-methylsulfanylphenyl)-4-oxo-butanoate CAS Name: 4-[4-(methylthio)phenyl]-4-oxobutanoic acid [2-oxo-2-[(phenylmethyl)amino]ethyl] ester IUPAC Name: [2-(benzylamino)-2-oxoethyl] 4-(4-methylsulfanylphenyl)-4-oxobutanoate Traditional Name: 4-keto-4-[4-(methylthio)phenyl]butyric acid [2-(benzylamino)-2-keto-ethyl] ester Formula: C20H21NO4S MolecularWeight: 371.45004

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CSC1=CC=C(C=C1)C(=O)CCC(=O)OCC(=O)NCC2=CC=CC=C2

Isomeric SMILES

CSC1=CC=C(C=C1)C(=O)CCC(=O)OCC(=O)NCC2=CC=CC=C2

InChI

InChI=1S/C20H21NO4S/c1-26-17-9-7-16(8-10-17)18(22)11-12-20(24)25-14-19(23)21-13-15-5-3-2-4-6-15/h2-10H,11-14H2,1H3,(H,21,23)