diethyl 2-(4-methylphenyl)sulfanyl-3-oxidanylidene-butanedioate

Systemtic Name: diethyl 2-(4-methylphenyl)sulfanyl-3-oxidanylidene-butanedioate Openeye Name: diethyl 2-oxo-3-(p-tolylsulfanyl)butanedioate CAS Name: 2-[(4-methylphenyl)thio]-3-oxobutanedioic acid diethyl ester IUPAC Name: diethyl 2-(4-methylphenyl)sulfanyl-3-oxobutanedioate Traditional Name: 2-keto-3-(p-tolylthio)succinic acid diethyl ester Formula: C15H18O5S MolecularWeight: 310.36542

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(C(=O)C(=O)OCC)SC1=CC=C(C=C1)C

Isomeric SMILES

CCOC(=O)C(C(=O)C(=O)OCC)SC1=CC=C(C=C1)C

InChI

InChI=1S/C15H18O5S/c1-4-19-14(17)12(16)13(15(18)20-5-2)21-11-8-6-10(3)7-9-11/h6-9,13H,4-5H2,1-3H3