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

Systemtic Name: O1-cyclohexyl O6-ethyl (2Z,4Z)-2-(dimethylamino)-5-phenylsulfanyl-hexa-2,4-dienedioate Openeye Name: O1-cyclohexyl O6-ethyl (2Z,4Z)-2-(dimethylamino)-5-phenylsulfanyl-hexa-2,4-dienedioate CAS Name: (2Z,4Z)-2-(dimethylamino)-5-(phenylthio)hexa-2,4-dienedioic acid O1-cyclohexyl ester O6-ethyl ester IUPAC Name: 1-O-cyclohexyl 6-O-ethyl (2Z,4Z)-2-(dimethylamino)-5-phenylsulfanylhexa-2,4-dienedioate Traditional Name: (2Z,4Z)-2-(dimethylamino)-5-(phenylthio)muconic acid O1-cyclohexyl ester O6-ethyl ester Formula: C22H29NO4S MolecularWeight: 403.53496

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(=CC=C(C(=O)OC1CCCCC1)N(C)C)SC2=CC=CC=C2

Isomeric SMILES

CCOC(=O)/C(=C/C=C(/C(=O)OC1CCCCC1)\N(C)C)/SC2=CC=CC=C2

InChI

InChI=1S/C22H29NO4S/c1-4-26-22(25)20(28-18-13-9-6-10-14-18)16-15-19(23(2)3)21(24)27-17-11-7-5-8-12-17/h6,9-10,13-17H,4-5,7-8,11-12H2,1-3H3/b19-15-,20-16-