ethyl 2-oxidanyl-4-oxidanylidene-4-(phenylmethylsulfanyl)butanoate

Systemtic Name: ethyl 2-oxidanyl-4-oxidanylidene-4-(phenylmethylsulfanyl)butanoate Openeye Name: ethyl 4-benzylsulfanyl-2-hydroxy-4-oxo-butanoate CAS Name: 2-hydroxy-4-oxo-4-(phenylmethylthio)butanoic acid ethyl ester IUPAC Name: ethyl 4-benzylsulfanyl-2-hydroxy-4-oxobutanoate Traditional Name: 4-(benzylthio)-2-hydroxy-4-keto-butyric acid ethyl ester Formula: C13H16O4S MolecularWeight: 268.32874

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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