2-(phenylmethylsulfanyl)ethyl 3-oxidanylidenebutanoate

Systemtic Name: 2-(phenylmethylsulfanyl)ethyl 3-oxidanylidenebutanoate Openeye Name: 2-benzylsulfanylethyl 3-oxobutanoate CAS Name: 3-oxobutanoic acid 2-(phenylmethylthio)ethyl ester IUPAC Name: 2-benzylsulfanylethyl 3-oxobutanoate Traditional Name: 3-ketobutyric acid 2-(benzylthio)ethyl ester Formula: C13H16O3S MolecularWeight: 252.32934

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)CC(=O)OCCSCC1=CC=CC=C1

Isomeric SMILES

CC(=O)CC(=O)OCCSCC1=CC=CC=C1

InChI

InChI=1S/C13H16O3S/c1-11(14)9-13(15)16-7-8-17-10-12-5-3-2-4-6-12/h2-6H,7-10H2,1H3