methyl 2-[[2-azanyl-3-(phenylcarbonylsulfanyl)propanoyl]amino]ethanoate

Systemtic Name: methyl 2-[[2-azanyl-3-(phenylcarbonylsulfanyl)propanoyl]amino]ethanoate Openeye Name: methyl 2-[(2-amino-3-benzoylsulfanyl-propanoyl)amino]acetate CAS Name: 2-[[2-amino-3-(benzoylthio)-1-oxopropyl]amino]acetic acid methyl ester IUPAC Name: methyl 2-[(2-amino-3-benzoylsulfanylpropanoyl)amino]acetate Traditional Name: 2-[[2-amino-3-(benzoylthio)propanoyl]amino]acetic acid methyl ester Formula: C13H16N2O4S MolecularWeight: 296.34214

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CNC(=O)C(CSC(=O)C1=CC=CC=C1)N

Isomeric SMILES

COC(=O)CNC(=O)C(CSC(=O)C1=CC=CC=C1)N

InChI

InChI=1S/C13H16N2O4S/c1-19-11(16)7-15-12(17)10(14)8-20-13(18)9-5-3-2-4-6-9/h2-6,10H,7-8,14H2,1H3,(H,15,17)