ethyl 4-(2-methylsulfanylphenyl)-4-oxidanylidene-butanoate

Systemtic Name: ethyl 4-(2-methylsulfanylphenyl)-4-oxidanylidene-butanoate Openeye Name: ethyl 4-(2-methylsulfanylphenyl)-4-oxo-butanoate CAS Name: 4-[2-(methylthio)phenyl]-4-oxobutanoic acid ethyl ester IUPAC Name: ethyl 4-(2-methylsulfanylphenyl)-4-oxobutanoate Traditional Name: 4-keto-4-[2-(methylthio)phenyl]butyric acid ethyl ester Formula: C13H16O3S MolecularWeight: 252.32934

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CCC(=O)C1=CC=CC=C1SC

Isomeric SMILES

CCOC(=O)CCC(=O)C1=CC=CC=C1SC

InChI

InChI=1S/C13H16O3S/c1-3-16-13(15)9-8-11(14)10-6-4-5-7-12(10)17-2/h4-7H,3,8-9H2,1-2H3