methyl 3-methyl-2-[2-(phenylmethylsulfanyl)ethanoylamino]butanoate

Systemtic Name: methyl 3-methyl-2-[2-(phenylmethylsulfanyl)ethanoylamino]butanoate Openeye Name: methyl 2-[(2-benzylsulfanylacetyl)amino]-3-methyl-butanoate CAS Name: 3-methyl-2-[[1-oxo-2-(phenylmethylthio)ethyl]amino]butanoic acid methyl ester IUPAC Name: methyl 2-[(2-benzylsulfanylacetyl)amino]-3-methylbutanoate Traditional Name: 2-[[2-(benzylthio)acetyl]amino]-3-methyl-butyric acid methyl ester Formula: C15H21NO3S MolecularWeight: 295.39714

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C(=O)OC)NC(=O)CSCC1=CC=CC=C1

Isomeric SMILES

CC(C)C(C(=O)OC)NC(=O)CSCC1=CC=CC=C1

InChI

InChI=1S/C15H21NO3S/c1-11(2)14(15(18)19-3)16-13(17)10-20-9-12-7-5-4-6-8-12/h4-8,11,14H,9-10H2,1-3H3,(H,16,17)