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

Systemtic Name: ethyl (2S)-4-methylsulfanyl-2-[(3S)-3-(2-methylsulfanylethyl)-2-oxidanylidene-piperazin-1-yl]butanoate Openeye Name: ethyl (2S)-4-methylsulfanyl-2-[(3S)-3-(2-methylsulfanylethyl)-2-oxo-piperazin-1-yl]butanoate CAS Name: (2S)-4-(methylthio)-2-[(3S)-3-[2-(methylthio)ethyl]-2-oxo-1-piperazinyl]butanoic acid ethyl ester IUPAC Name: ethyl (2S)-4-methylsulfanyl-2-[(3S)-3-(2-methylsulfanylethyl)-2-oxopiperazin-1-yl]butanoate Traditional Name: (2S)-2-[(3S)-2-keto-3-[2-(methylthio)ethyl]piperazino]-4-(methylthio)butyric acid ethyl ester Formula: C14H26N2O3S2 MolecularWeight: 334.49784

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(CCSC)N1CCNC(C1=O)CCSC

Isomeric SMILES

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

InChI

InChI=1S/C14H26N2O3S2/c1-4-19-14(18)12(6-10-21-3)16-8-7-15-11(13(16)17)5-9-20-2/h11-12,15H,4-10H2,1-3H3/t11-,12-/m0/s1