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

Systemtic Name: diethyl (2Z,4E)-2-(dimethylamino)-5-[(4-phenylphenyl)methylsulfanyl]hexa-2,4-dienedioate Openeye Name: diethyl (2Z,4E)-2-(dimethylamino)-5-[(4-phenylphenyl)methylsulfanyl]hexa-2,4-dienedioate CAS Name: (2Z,4E)-2-(dimethylamino)-5-[(4-phenylphenyl)methylthio]hexa-2,4-dienedioic acid diethyl ester IUPAC Name: diethyl (2Z,4E)-2-(dimethylamino)-5-[(4-phenylphenyl)methylsulfanyl]hexa-2,4-dienedioate Traditional Name: (2Z,4E)-2-(dimethylamino)-5-[(4-phenylbenzyl)thio]muconic acid diethyl ester Formula: C25H29NO4S MolecularWeight: 439.56706

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(=CC=C(C(=O)OCC)SCC1=CC=C(C=C1)C2=CC=CC=C2)N(C)C

Isomeric SMILES

CCOC(=O)/C(=C/C=C(\C(=O)OCC)/SCC1=CC=C(C=C1)C2=CC=CC=C2)/N(C)C

InChI

InChI=1S/C25H29NO4S/c1-5-29-24(27)22(26(3)4)16-17-23(25(28)30-6-2)31-18-19-12-14-21(15-13-19)20-10-8-7-9-11-20/h7-17H,5-6,18H2,1-4H3/b22-16-,23-17+