diethyl (2Z,4E)-2-(dimethylamino)-5-(naphthalen-2-ylmethylsulfanyl)hexa-2,4-dienedioate

Systemtic Name: diethyl (2Z,4E)-2-(dimethylamino)-5-(naphthalen-2-ylmethylsulfanyl)hexa-2,4-dienedioate Openeye Name: diethyl (2Z,4E)-2-(dimethylamino)-5-(2-naphthylmethylsulfanyl)hexa-2,4-dienedioate CAS Name: (2Z,4E)-2-(dimethylamino)-5-(2-naphthalenylmethylthio)hexa-2,4-dienedioic acid diethyl ester IUPAC Name: diethyl (2Z,4E)-2-(dimethylamino)-5-(naphthalen-2-ylmethylsulfanyl)hexa-2,4-dienedioate Traditional Name: (2Z,4E)-2-(dimethylamino)-5-(2-naphthylmethylthio)muconic acid diethyl ester Formula: C23H27NO4S MolecularWeight: 413.52978

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(=CC=C(C(=O)OCC)SCC1=CC2=CC=CC=C2C=C1)N(C)C

Isomeric SMILES

CCOC(=O)/C(=C/C=C(\C(=O)OCC)/SCC1=CC2=CC=CC=C2C=C1)/N(C)C

InChI

InChI=1S/C23H27NO4S/c1-5-27-22(25)20(24(3)4)13-14-21(23(26)28-6-2)29-16-17-11-12-18-9-7-8-10-19(18)15-17/h7-15H,5-6,16H2,1-4H3/b20-13-,21-14+