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

Systemtic Name: diethyl (2Z,4E)-2-(dimethylamino)-5-[(4-propan-2-ylphenyl)methylsulfanyl]hexa-2,4-dienedioate Openeye Name: diethyl (2Z,4E)-2-(dimethylamino)-5-[(4-isopropylphenyl)methylsulfanyl]hexa-2,4-dienedioate CAS Name: (2Z,4E)-2-(dimethylamino)-5-[(4-propan-2-ylphenyl)methylthio]hexa-2,4-dienedioic acid diethyl ester IUPAC Name: diethyl (2Z,4E)-2-(dimethylamino)-5-[(4-propan-2-ylphenyl)methylsulfanyl]hexa-2,4-dienedioate Traditional Name: (2Z,4E)-2-(dimethylamino)-5-[(4-isopropylbenzyl)thio]muconic acid diethyl ester Formula: C22H31NO4S MolecularWeight: 405.55084

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H31NO4S/c1-7-26-21(24)19(23(5)6)13-14-20(22(25)27-8-2)28-15-17-9-11-18(12-10-17)16(3)4/h9-14,16H,7-8,15H2,1-6H3/b19-13-,20-14+