O6-tert-butyl O1-ethyl (2Z,4E)-2-(dimethylamino)-5-phenylsulfanyl-hexa-2,4-dienedioate

Systemtic Name: O6-tert-butyl O1-ethyl (2Z,4E)-2-(dimethylamino)-5-phenylsulfanyl-hexa-2,4-dienedioate Openeye Name: O1-tert-butyl O6-ethyl (2E,4Z)-5-(dimethylamino)-2-phenylsulfanyl-hexa-2,4-dienedioate CAS Name: (2Z,4E)-2-(dimethylamino)-5-(phenylthio)hexa-2,4-dienedioic acid O6-tert-butyl ester O1-ethyl ester IUPAC Name: 6-O-tert-butyl 1-O-ethyl (2Z,4E)-2-(dimethylamino)-5-phenylsulfanylhexa-2,4-dienedioate Traditional Name: (2E,4Z)-5-(dimethylamino)-2-(phenylthio)muconic acid O1-tert-butyl ester O6-ethyl ester Formula: C20H27NO4S MolecularWeight: 377.49768

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H27NO4S/c1-7-24-18(22)16(21(5)6)13-14-17(19(23)25-20(2,3)4)26-15-11-9-8-10-12-15/h8-14H,7H2,1-6H3/b16-13-,17-14+