(2R)-4-methoxy-4-oxidanylidene-2-(phenylmethylsulfanyl)butanoic acid

Systemtic Name: (2R)-4-methoxy-4-oxidanylidene-2-(phenylmethylsulfanyl)butanoic acid Openeye Name: (2R)-2-benzylsulfanyl-4-methoxy-4-oxo-butanoic acid CAS Name: (2R)-4-methoxy-4-oxo-2-(phenylmethylthio)butanoic acid IUPAC Name: (2R)-2-benzylsulfanyl-4-methoxy-4-oxobutanoic acid Traditional Name: (2R)-2-(benzylthio)-4-keto-4-methoxy-butyric acid Formula: C12H14O4S MolecularWeight: 254.30216

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H14O4S/c1-16-11(13)7-10(12(14)15)17-8-9-5-3-2-4-6-9/h2-6,10H,7-8H2,1H3,(H,14,15)/t10-/m1/s1