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

Systemtic Name: dimethyl (2S,3S)-2-acetamido-3-(phenylmethylsulfanyl)butanedioate Openeye Name: dimethyl (2S,3S)-2-acetamido-3-benzylsulfanyl-butanedioate CAS Name: (2S,3S)-2-acetamido-3-(phenylmethylthio)butanedioic acid dimethyl ester IUPAC Name: dimethyl (2S,3S)-2-acetamido-3-benzylsulfanylbutanedioate Traditional Name: (2S,3S)-2-acetamido-3-(benzylthio)succinic acid dimethyl ester Formula: C15H19NO5S MolecularWeight: 325.38006

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H19NO5S/c1-10(17)16-12(14(18)20-2)13(15(19)21-3)22-9-11-7-5-4-6-8-11/h4-8,12-13H,9H2,1-3H3,(H,16,17)/t12-,13+/m1/s1