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

Systemtic Name: diethyl 2-[2-(4-methylphenyl)sulfanylethyl]-3-oxidanylidene-butanedioate Openeye Name: diethyl 2-oxo-3-[2-(p-tolylsulfanyl)ethyl]butanedioate CAS Name: 2-[2-[(4-methylphenyl)thio]ethyl]-3-oxobutanedioic acid diethyl ester IUPAC Name: diethyl 2-[2-(4-methylphenyl)sulfanylethyl]-3-oxobutanedioate Traditional Name: 2-keto-3-[2-(p-tolylthio)ethyl]succinic acid diethyl ester Formula: C17H22O5S MolecularWeight: 338.41858

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(CCSC1=CC=C(C=C1)C)C(=O)C(=O)OCC

Isomeric SMILES

CCOC(=O)C(CCSC1=CC=C(C=C1)C)C(=O)C(=O)OCC

InChI

InChI=1S/C17H22O5S/c1-4-21-16(19)14(15(18)17(20)22-5-2)10-11-23-13-8-6-12(3)7-9-13/h6-9,14H,4-5,10-11H2,1-3H3