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

Systemtic Name: diethyl (2Z,4E)-2-(dimethylamino)-5-(phenylmethylsulfanyl)hexa-2,4-dienedioate Openeye Name: diethyl (2E,4Z)-2-benzylsulfanyl-5-(dimethylamino)hexa-2,4-dienedioate CAS Name: (2Z,4E)-2-(dimethylamino)-5-(phenylmethylthio)hexa-2,4-dienedioic acid diethyl ester IUPAC Name: diethyl (2E,4Z)-2-benzylsulfanyl-5-(dimethylamino)hexa-2,4-dienedioate Traditional Name: (2E,4Z)-2-(benzylthio)-5-(dimethylamino)muconic acid diethyl ester Formula: C19H25NO4S MolecularWeight: 363.4711

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H25NO4S/c1-5-23-18(21)16(20(3)4)12-13-17(19(22)24-6-2)25-14-15-10-8-7-9-11-15/h7-13H,5-6,14H2,1-4H3/b16-12-,17-13+