ethyl (2R)-2-[(3S)-3-(2-methylsulfanylethyl)-2-oxidanylidene-piperazin-1-yl]-3-phenyl-propanoate

Systemtic Name: ethyl (2R)-2-[(3S)-3-(2-methylsulfanylethyl)-2-oxidanylidene-piperazin-1-yl]-3-phenyl-propanoate Openeye Name: ethyl (2R)-2-[(3S)-3-(2-methylsulfanylethyl)-2-oxo-piperazin-1-yl]-3-phenyl-propanoate CAS Name: (2R)-2-[(3S)-3-[2-(methylthio)ethyl]-2-oxo-1-piperazinyl]-3-phenylpropanoic acid ethyl ester IUPAC Name: ethyl (2R)-2-[(3S)-3-(2-methylsulfanylethyl)-2-oxopiperazin-1-yl]-3-phenylpropanoate Traditional Name: (2R)-2-[(3S)-2-keto-3-[2-(methylthio)ethyl]piperazino]-3-phenyl-propionic acid ethyl ester Formula: C18H26N2O3S MolecularWeight: 350.47564

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(CC1=CC=CC=C1)N2CCNC(C2=O)CCSC

Isomeric SMILES

CCOC(=O)[C@@H](CC1=CC=CC=C1)N2CCN[C@H](C2=O)CCSC

InChI

InChI=1S/C18H26N2O3S/c1-3-23-18(22)16(13-14-7-5-4-6-8-14)20-11-10-19-15(17(20)21)9-12-24-2/h4-8,15-16,19H,3,9-13H2,1-2H3/t15-,16+/m0/s1