ethyl 4-(2-methylphenyl)sulfanyl-3-oxidanylidene-butanoate

Systemtic Name: ethyl 4-(2-methylphenyl)sulfanyl-3-oxidanylidene-butanoate Openeye Name: ethyl 4-(o-tolylsulfanyl)-3-oxo-butanoate CAS Name: 4-[(2-methylphenyl)thio]-3-oxobutanoic acid ethyl ester IUPAC Name: ethyl 4-(2-methylphenyl)sulfanyl-3-oxobutanoate Traditional Name: 3-keto-4-(o-tolylthio)butyric acid ethyl ester Formula: C13H16O3S MolecularWeight: 252.32934

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CC(=O)CSC1=CC=CC=C1C

Isomeric SMILES

CCOC(=O)CC(=O)CSC1=CC=CC=C1C

InChI

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