diethyl 2-acetamido-2-[(phenylmethylsulfanyl)methyl]propanedioate

Systemtic Name: diethyl 2-acetamido-2-[(phenylmethylsulfanyl)methyl]propanedioate Openeye Name: diethyl 2-acetamido-2-(benzylsulfanylmethyl)propanedioate CAS Name: 2-acetamido-2-[(phenylmethylthio)methyl]propanedioic acid diethyl ester IUPAC Name: diethyl 2-acetamido-2-(benzylsulfanylmethyl)propanedioate Traditional Name: 2-acetamido-2-[(benzylthio)methyl]malonic acid diethyl ester Formula: C17H23NO5S MolecularWeight: 353.43322

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(CSCC1=CC=CC=C1)(C(=O)OCC)NC(=O)C

Isomeric SMILES

CCOC(=O)C(CSCC1=CC=CC=C1)(C(=O)OCC)NC(=O)C

InChI

InChI=1S/C17H23NO5S/c1-4-22-15(20)17(18-13(3)19,16(21)23-5-2)12-24-11-14-9-7-6-8-10-14/h6-10H,4-5,11-12H2,1-3H3,(H,18,19)