dimethyl (2S,3S)-2-(methylsulfonylamino)-3-(phenylmethylsulfanyl)butanedioate

Systemtic Name: dimethyl (2S,3S)-2-(methylsulfonylamino)-3-(phenylmethylsulfanyl)butanedioate Openeye Name: dimethyl (2S,3S)-2-benzylsulfanyl-3-(methanesulfonamido)butanedioate CAS Name: (2S,3S)-2-(methanesulfonamido)-3-(phenylmethylthio)butanedioic acid dimethyl ester IUPAC Name: dimethyl (2S,3S)-2-benzylsulfanyl-3-(methanesulfonamido)butanedioate Traditional Name: (2S,3S)-2-(benzylthio)-3-(methanesulfonamido)succinic acid dimethyl ester Formula: C14H19NO6S2 MolecularWeight: 361.43376

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H19NO6S2/c1-20-13(16)11(15-23(3,18)19)12(14(17)21-2)22-9-10-7-5-4-6-8-10/h4-8,11-12,15H,9H2,1-3H3/t11-,12+/m1/s1