(2-oxidanylidene-2-thiophen-2-yl-ethyl) 2-acetamido-4-methylsulfanyl-butanoate

Systemtic Name: (2-oxidanylidene-2-thiophen-2-yl-ethyl) 2-acetamido-4-methylsulfanyl-butanoate Openeye Name: [2-oxo-2-(2-thienyl)ethyl] 2-acetamido-4-methylsulfanyl-butanoate CAS Name: 2-acetamido-4-(methylthio)butanoic acid (2-oxo-2-thiophen-2-ylethyl) ester IUPAC Name: (2-oxo-2-thiophen-2-ylethyl) 2-acetamido-4-methylsulfanylbutanoate Traditional Name: 2-acetamido-4-(methylthio)butyric acid [2-keto-2-(2-thienyl)ethyl] ester Formula: C13H17NO4S2 MolecularWeight: 315.40838

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC(CCSC)C(=O)OCC(=O)C1=CC=CS1

Isomeric SMILES

CC(=O)NC(CCSC)C(=O)OCC(=O)C1=CC=CS1

InChI

InChI=1S/C13H17NO4S2/c1-9(15)14-10(5-7-19-2)13(17)18-8-11(16)12-4-3-6-20-12/h3-4,6,10H,5,7-8H2,1-2H3,(H,14,15)