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

Systemtic Name: diethyl (2Z,4E)-2-(dimethylamino)-5-naphthalen-2-ylsulfanyl-hexa-2,4-dienedioate Openeye Name: diethyl (2Z,4E)-2-(dimethylamino)-5-(2-naphthylsulfanyl)hexa-2,4-dienedioate CAS Name: (2Z,4E)-2-(dimethylamino)-5-(2-naphthalenylthio)hexa-2,4-dienedioic acid diethyl ester IUPAC Name: diethyl (2Z,4E)-2-(dimethylamino)-5-naphthalen-2-ylsulfanylhexa-2,4-dienedioate Traditional Name: (2Z,4E)-2-(dimethylamino)-5-(2-naphthylthio)muconic acid diethyl ester Formula: C22H25NO4S MolecularWeight: 399.5032

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(=CC=C(C(=O)OCC)SC1=CC2=CC=CC=C2C=C1)N(C)C

Isomeric SMILES

CCOC(=O)/C(=C/C=C(\C(=O)OCC)/SC1=CC2=CC=CC=C2C=C1)/N(C)C

InChI

InChI=1S/C22H25NO4S/c1-5-26-21(24)19(23(3)4)13-14-20(22(25)27-6-2)28-18-12-11-16-9-7-8-10-17(16)15-18/h7-15H,5-6H2,1-4H3/b19-13-,20-14+