diethyl (2Z,4E)-2-(dimethylamino)-5-[(3-phenoxyphenyl)methylsulfanyl]hexa-2,4-dienedioate

Systemtic Name: diethyl (2Z,4E)-2-(dimethylamino)-5-[(3-phenoxyphenyl)methylsulfanyl]hexa-2,4-dienedioate Openeye Name: diethyl (2Z,4E)-2-(dimethylamino)-5-[(3-phenoxyphenyl)methylsulfanyl]hexa-2,4-dienedioate CAS Name: (2Z,4E)-2-(dimethylamino)-5-[(3-phenoxyphenyl)methylthio]hexa-2,4-dienedioic acid diethyl ester IUPAC Name: diethyl (2Z,4E)-2-(dimethylamino)-5-[(3-phenoxyphenyl)methylsulfanyl]hexa-2,4-dienedioate Traditional Name: (2Z,4E)-2-(dimethylamino)-5-[(3-phenoxybenzyl)thio]muconic acid diethyl ester Formula: C25H29NO5S MolecularWeight: 455.56646

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(=CC=C(C(=O)OCC)SCC1=CC(=CC=C1)OC2=CC=CC=C2)N(C)C

Isomeric SMILES

CCOC(=O)/C(=C/C=C(\C(=O)OCC)/SCC1=CC(=CC=C1)OC2=CC=CC=C2)/N(C)C

InChI

InChI=1S/C25H29NO5S/c1-5-29-24(27)22(26(3)4)15-16-23(25(28)30-6-2)32-18-19-11-10-14-21(17-19)31-20-12-8-7-9-13-20/h7-17H,5-6,18H2,1-4H3/b22-15-,23-16+