dimethyl 2-[(E)-5-(4-methylphenyl)sulfanyl-5-oxidanylidene-pent-2-enyl]propanedioate

Systemtic Name: dimethyl 2-[(E)-5-(4-methylphenyl)sulfanyl-5-oxidanylidene-pent-2-enyl]propanedioate Openeye Name: dimethyl 2-[(E)-5-oxo-5-(p-tolylsulfanyl)pent-2-enyl]propanedioate CAS Name: 2-[(E)-5-[(4-methylphenyl)thio]-5-oxopent-2-enyl]propanedioic acid dimethyl ester IUPAC Name: dimethyl 2-[(E)-5-(4-methylphenyl)sulfanyl-5-oxopent-2-enyl]propanedioate Traditional Name: 2-[(E)-5-keto-5-(p-tolylthio)pent-2-enyl]malonic acid dimethyl ester Formula: C17H20O5S MolecularWeight: 336.4027

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H20O5S/c1-12-8-10-13(11-9-12)23-15(18)7-5-4-6-14(16(19)21-2)17(20)22-3/h4-5,8-11,14H,6-7H2,1-3H3/b5-4+