dimethyl (2S)-2-(phenylmethylsulfanyl)butanedioate

Systemtic Name: dimethyl (2S)-2-(phenylmethylsulfanyl)butanedioate Openeye Name: dimethyl (2S)-2-benzylsulfanylbutanedioate CAS Name: (2S)-2-(phenylmethylthio)butanedioic acid dimethyl ester IUPAC Name: dimethyl (2S)-2-benzylsulfanylbutanedioate Traditional Name: (2S)-2-(benzylthio)succinic acid dimethyl ester Formula: C13H16O4S MolecularWeight: 268.32874

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CC(C(=O)OC)SCC1=CC=CC=C1

Isomeric SMILES

COC(=O)C[C@@H](C(=O)OC)SCC1=CC=CC=C1

InChI

InChI=1S/C13H16O4S/c1-16-12(14)8-11(13(15)17-2)18-9-10-6-4-3-5-7-10/h3-7,11H,8-9H2,1-2H3/t11-/m0/s1