diethyl (2Z,4E)-2-(dimethylamino)-5-[(4-methylphenyl)methylsulfanyl]hexa-2,4-dienedioate

Systemtic Name: diethyl (2Z,4E)-2-(dimethylamino)-5-[(4-methylphenyl)methylsulfanyl]hexa-2,4-dienedioate Openeye Name: diethyl (2Z,4E)-2-(dimethylamino)-5-(p-tolylmethylsulfanyl)hexa-2,4-dienedioate CAS Name: (2Z,4E)-2-(dimethylamino)-5-[(4-methylphenyl)methylthio]hexa-2,4-dienedioic acid diethyl ester IUPAC Name: diethyl (2Z,4E)-2-(dimethylamino)-5-[(4-methylphenyl)methylsulfanyl]hexa-2,4-dienedioate Traditional Name: (2Z,4E)-2-(dimethylamino)-5-[(4-methylbenzyl)thio]muconic acid diethyl ester Formula: C20H27NO4S MolecularWeight: 377.49768

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(=CC=C(C(=O)OCC)SCC1=CC=C(C=C1)C)N(C)C

Isomeric SMILES

CCOC(=O)/C(=C/C=C(\C(=O)OCC)/SCC1=CC=C(C=C1)C)/N(C)C

InChI

InChI=1S/C20H27NO4S/c1-6-24-19(22)17(21(4)5)12-13-18(20(23)25-7-2)26-14-16-10-8-15(3)9-11-16/h8-13H,6-7,14H2,1-5H3/b17-12-,18-13+