methyl (2R)-2-acetamido-3-(3-oxidanylidenecyclohexyl)sulfanyl-propanoate

Systemtic Name: methyl (2R)-2-acetamido-3-(3-oxidanylidenecyclohexyl)sulfanyl-propanoate Openeye Name: methyl (2R)-2-acetamido-3-(3-oxocyclohexyl)sulfanyl-propanoate CAS Name: (2R)-2-acetamido-3-[(3-oxocyclohexyl)thio]propanoic acid methyl ester IUPAC Name: methyl (2R)-2-acetamido-3-(3-oxocyclohexyl)sulfanylpropanoate Traditional Name: (2R)-2-acetamido-3-[(3-ketocyclohexyl)thio]propionic acid methyl ester Formula: C12H19NO4S MolecularWeight: 273.34856

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC(CSC1CCCC(=O)C1)C(=O)OC

Isomeric SMILES

CC(=O)N[C@@H](CSC1CCCC(=O)C1)C(=O)OC

InChI

InChI=1S/C12H19NO4S/c1-8(14)13-11(12(16)17-2)7-18-10-5-3-4-9(15)6-10/h10-11H,3-7H2,1-2H3,(H,13,14)/t10?,11-/m0/s1