methyl 4-(4-methylsulfanylphenyl)-4-oxidanylidene-3-phenyl-butanoate

Systemtic Name: methyl 4-(4-methylsulfanylphenyl)-4-oxidanylidene-3-phenyl-butanoate Openeye Name: methyl 4-(4-methylsulfanylphenyl)-4-oxo-3-phenyl-butanoate CAS Name: 4-[4-(methylthio)phenyl]-4-oxo-3-phenylbutanoic acid methyl ester IUPAC Name: methyl 4-(4-methylsulfanylphenyl)-4-oxo-3-phenylbutanoate Traditional Name: 4-keto-4-[4-(methylthio)phenyl]-3-phenyl-butyric acid methyl ester Formula: C18H18O3S MolecularWeight: 314.39872

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CC(C1=CC=CC=C1)C(=O)C2=CC=C(C=C2)SC

Isomeric SMILES

COC(=O)CC(C1=CC=CC=C1)C(=O)C2=CC=C(C=C2)SC

InChI

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