ethyl (2S)-4-methylsulfanyl-2-[2-(phenylcarbonylsulfanyl)ethanoylamino]butanoate

Systemtic Name: ethyl (2S)-4-methylsulfanyl-2-[2-(phenylcarbonylsulfanyl)ethanoylamino]butanoate Openeye Name: ethyl (2S)-2-[(2-benzoylsulfanylacetyl)amino]-4-methylsulfanyl-butanoate CAS Name: (2S)-2-[[2-(benzoylthio)-1-oxoethyl]amino]-4-(methylthio)butanoic acid ethyl ester IUPAC Name: ethyl (2S)-2-[(2-benzoylsulfanylacetyl)amino]-4-methylsulfanylbutanoate Traditional Name: (2S)-2-[[2-(benzoylthio)acetyl]amino]-4-(methylthio)butyric acid ethyl ester Formula: C16H21NO4S2 MolecularWeight: 355.47224

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(CCSC)NC(=O)CSC(=O)C1=CC=CC=C1

Isomeric SMILES

CCOC(=O)[C@H](CCSC)NC(=O)CSC(=O)C1=CC=CC=C1

InChI

InChI=1S/C16H21NO4S2/c1-3-21-15(19)13(9-10-22-2)17-14(18)11-23-16(20)12-7-5-4-6-8-12/h4-8,13H,3,9-11H2,1-2H3,(H,17,18)/t13-/m0/s1