diethyl 2-[(4-methylphenyl)sulfanylmethyl]-3-oxidanylidene-butanedioate

Systemtic Name: diethyl 2-[(4-methylphenyl)sulfanylmethyl]-3-oxidanylidene-butanedioate Openeye Name: diethyl 2-oxo-3-(p-tolylsulfanylmethyl)butanedioate CAS Name: 2-[[(4-methylphenyl)thio]methyl]-3-oxobutanedioic acid diethyl ester IUPAC Name: diethyl 2-[(4-methylphenyl)sulfanylmethyl]-3-oxobutanedioate Traditional Name: 2-keto-3-[(p-tolylthio)methyl]succinic acid diethyl ester Formula: C16H20O5S MolecularWeight: 324.392

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(CSC1=CC=C(C=C1)C)C(=O)C(=O)OCC

Isomeric SMILES

CCOC(=O)C(CSC1=CC=C(C=C1)C)C(=O)C(=O)OCC

InChI

InChI=1S/C16H20O5S/c1-4-20-15(18)13(14(17)16(19)21-5-2)10-22-12-8-6-11(3)7-9-12/h6-9,13H,4-5,10H2,1-3H3