O1-ethyl O6-methyl (2Z,4Z)-5-(dimethylamino)-2-phenylsulfanyl-hexa-2,4-dienedioate

Systemtic Name: O1-ethyl O6-methyl (2Z,4Z)-5-(dimethylamino)-2-phenylsulfanyl-hexa-2,4-dienedioate Openeye Name: O1-ethyl O6-methyl (2Z,4Z)-5-(dimethylamino)-2-phenylsulfanyl-hexa-2,4-dienedioate CAS Name: (2Z,4Z)-5-(dimethylamino)-2-(phenylthio)hexa-2,4-dienedioic acid O1-ethyl ester O6-methyl ester IUPAC Name: 1-O-ethyl 6-O-methyl (2Z,4Z)-5-(dimethylamino)-2-phenylsulfanylhexa-2,4-dienedioate Traditional Name: (2Z,4Z)-5-(dimethylamino)-2-(phenylthio)muconic acid O1-ethyl ester O6-methyl ester Formula: C17H21NO4S MolecularWeight: 335.41794

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(=CC=C(C(=O)OC)N(C)C)SC1=CC=CC=C1

Isomeric SMILES

CCOC(=O)/C(=C/C=C(/C(=O)OC)\N(C)C)/SC1=CC=CC=C1

InChI

InChI=1S/C17H21NO4S/c1-5-22-17(20)15(23-13-9-7-6-8-10-13)12-11-14(18(2)3)16(19)21-4/h6-12H,5H2,1-4H3/b14-11-,15-12-