dimethyl 2-[(E)-4-(4-methylphenyl)sulfanylbut-2-enyl]propanedioate

Systemtic Name: dimethyl 2-[(E)-4-(4-methylphenyl)sulfanylbut-2-enyl]propanedioate Openeye Name: dimethyl 2-[(E)-4-(p-tolylsulfanyl)but-2-enyl]propanedioate CAS Name: 2-[(E)-4-[(4-methylphenyl)thio]but-2-enyl]propanedioic acid dimethyl ester IUPAC Name: dimethyl 2-[(E)-4-(4-methylphenyl)sulfanylbut-2-enyl]propanedioate Traditional Name: 2-[(E)-4-(p-tolylthio)but-2-enyl]malonic acid dimethyl ester Formula: C16H20O4S MolecularWeight: 308.3926

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)SCC=CCC(C(=O)OC)C(=O)OC

Isomeric SMILES

CC1=CC=C(C=C1)SC/C=C/CC(C(=O)OC)C(=O)OC

InChI

InChI=1S/C16H20O4S/c1-12-7-9-13(10-8-12)21-11-5-4-6-14(15(17)19-2)16(18)20-3/h4-5,7-10,14H,6,11H2,1-3H3/b5-4+