ethyl (2S)-4-methylsulfanyl-2-[3-(phenylcarbonylsulfanyl)propanoylamino]butanoate

Systemtic Name: ethyl (2S)-4-methylsulfanyl-2-[3-(phenylcarbonylsulfanyl)propanoylamino]butanoate Openeye Name: ethyl (2S)-2-(3-benzoylsulfanylpropanoylamino)-4-methylsulfanyl-butanoate CAS Name: (2S)-2-[[3-(benzoylthio)-1-oxopropyl]amino]-4-(methylthio)butanoic acid ethyl ester IUPAC Name: ethyl (2S)-2-(3-benzoylsulfanylpropanoylamino)-4-methylsulfanylbutanoate Traditional Name: (2S)-2-[3-(benzoylthio)propanoylamino]-4-(methylthio)butyric acid ethyl ester Formula: C17H23NO4S2 MolecularWeight: 369.49882

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H23NO4S2/c1-3-22-16(20)14(9-11-23-2)18-15(19)10-12-24-17(21)13-7-5-4-6-8-13/h4-8,14H,3,9-12H2,1-2H3,(H,18,19)/t14-/m0/s1