methyl 3-oxidanylidene-3-[3-(phenylmethylsulfanyl)phenyl]propanoate

Systemtic Name: methyl 3-oxidanylidene-3-[3-(phenylmethylsulfanyl)phenyl]propanoate Openeye Name: methyl 3-(3-benzylsulfanylphenyl)-3-oxo-propanoate CAS Name: 3-oxo-3-[3-(phenylmethylthio)phenyl]propanoic acid methyl ester IUPAC Name: methyl 3-(3-benzylsulfanylphenyl)-3-oxopropanoate Traditional Name: 3-[3-(benzylthio)phenyl]-3-keto-propionic acid methyl ester Formula: C17H16O3S MolecularWeight: 300.37214

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CC(=O)C1=CC(=CC=C1)SCC2=CC=CC=C2

Isomeric SMILES

COC(=O)CC(=O)C1=CC(=CC=C1)SCC2=CC=CC=C2

InChI

InChI=1S/C17H16O3S/c1-20-17(19)11-16(18)14-8-5-9-15(10-14)21-12-13-6-3-2-4-7-13/h2-10H,11-12H2,1H3