methyl 3-oxidanylidene-2-[2-(phenylmethylsulfanyl)phenyl]butanoate

Systemtic Name: methyl 3-oxidanylidene-2-[2-(phenylmethylsulfanyl)phenyl]butanoate Openeye Name: methyl 2-(2-benzylsulfanylphenyl)-3-oxo-butanoate CAS Name: 3-oxo-2-[2-(phenylmethylthio)phenyl]butanoic acid methyl ester IUPAC Name: methyl 2-(2-benzylsulfanylphenyl)-3-oxobutanoate Traditional Name: 2-[2-(benzylthio)phenyl]-3-keto-butyric acid methyl ester Formula: C18H18O3S MolecularWeight: 314.39872

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C(C1=CC=CC=C1SCC2=CC=CC=C2)C(=O)OC

Isomeric SMILES

CC(=O)C(C1=CC=CC=C1SCC2=CC=CC=C2)C(=O)OC

InChI

InChI=1S/C18H18O3S/c1-13(19)17(18(20)21-2)15-10-6-7-11-16(15)22-12-14-8-4-3-5-9-14/h3-11,17H,12H2,1-2H3