ethyl (2S)-4-methylsulfanyl-2-[(3R)-2-oxidanylidene-3-(phenylmethyl)piperazin-1-yl]butanoate

Systemtic Name: ethyl (2S)-4-methylsulfanyl-2-[(3R)-2-oxidanylidene-3-(phenylmethyl)piperazin-1-yl]butanoate Openeye Name: ethyl (2S)-2-[(3R)-3-benzyl-2-oxo-piperazin-1-yl]-4-methylsulfanyl-butanoate CAS Name: (2S)-4-(methylthio)-2-[(3R)-2-oxo-3-(phenylmethyl)-1-piperazinyl]butanoic acid ethyl ester IUPAC Name: ethyl (2S)-2-[(3R)-3-benzyl-2-oxopiperazin-1-yl]-4-methylsulfanylbutanoate Traditional Name: (2S)-2-[(3R)-3-benzyl-2-keto-piperazino]-4-(methylthio)butyric acid ethyl ester Formula: C18H26N2O3S MolecularWeight: 350.47564

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(CCSC)N1CCNC(C1=O)CC2=CC=CC=C2

Isomeric SMILES

CCOC(=O)[C@H](CCSC)N1CCN[C@@H](C1=O)CC2=CC=CC=C2

InChI

InChI=1S/C18H26N2O3S/c1-3-23-18(22)16(9-12-24-2)20-11-10-19-15(17(20)21)13-14-7-5-4-6-8-14/h4-8,15-16,19H,3,9-13H2,1-2H3/t15-,16+/m1/s1