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

Systemtic Name: diethyl (2E,4Z)-2-(4-chlorophenyl)sulfanyl-5-(dimethylamino)hexa-2,4-dienedioate Openeye Name: diethyl (2E,4Z)-2-(4-chlorophenyl)sulfanyl-5-(dimethylamino)hexa-2,4-dienedioate CAS Name: (2E,4Z)-2-[(4-chlorophenyl)thio]-5-(dimethylamino)hexa-2,4-dienedioic acid diethyl ester IUPAC Name: diethyl (2E,4Z)-2-(4-chlorophenyl)sulfanyl-5-(dimethylamino)hexa-2,4-dienedioate Traditional Name: (2E,4Z)-2-[(4-chlorophenyl)thio]-5-(dimethylamino)muconic acid diethyl ester Formula: C18H22ClNO4S MolecularWeight: 383.88958

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(=CC=C(C(=O)OCC)SC1=CC=C(C=C1)Cl)N(C)C

Isomeric SMILES

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

InChI

InChI=1S/C18H22ClNO4S/c1-5-23-17(21)15(20(3)4)11-12-16(18(22)24-6-2)25-14-9-7-13(19)8-10-14/h7-12H,5-6H2,1-4H3/b15-11-,16-12+