methyl 3-oxidanylidene-4-phenylsulfanyl-butanoate

Systemtic Name: methyl 3-oxidanylidene-4-phenylsulfanyl-butanoate Openeye Name: methyl 3-oxo-4-phenylsulfanyl-butanoate CAS Name: 3-oxo-4-(phenylthio)butanoic acid methyl ester IUPAC Name: methyl 3-oxo-4-phenylsulfanylbutanoate Traditional Name: 3-keto-4-(phenylthio)butyric acid methyl ester Formula: C11H12O3S MolecularWeight: 224.27618

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CC(=O)CSC1=CC=CC=C1

Isomeric SMILES

COC(=O)CC(=O)CSC1=CC=CC=C1

InChI

InChI=1S/C11H12O3S/c1-14-11(13)7-9(12)8-15-10-5-3-2-4-6-10/h2-6H,7-8H2,1H3