ethyl (Z)-2-cyano-4-[(3Z)-3-(1-cyano-2-ethoxy-2-oxidanylidene-ethylidene)-5,5-dimethyl-cyclohexen-1-yl]-3-methylsulfanyl-but-2-enoate

Systemtic Name: ethyl (Z)-2-cyano-4-[(3Z)-3-(1-cyano-2-ethoxy-2-oxidanylidene-ethylidene)-5,5-dimethyl-cyclohexen-1-yl]-3-methylsulfanyl-but-2-enoate Openeye Name: ethyl (Z)-2-cyano-4-[(3Z)-3-(1-cyano-2-ethoxy-2-oxo-ethylidene)-5,5-dimethyl-cyclohexen-1-yl]-3-methylsulfanyl-but-2-enoate CAS Name: (Z)-2-cyano-4-[(3Z)-3-(1-cyano-2-ethoxy-2-oxoethylidene)-5,5-dimethyl-1-cyclohexenyl]-3-(methylthio)-2-butenoic acid ethyl ester IUPAC Name: ethyl (Z)-2-cyano-4-[(3Z)-3-(1-cyano-2-ethoxy-2-oxoethylidene)-5,5-dimethylcyclohexen-1-yl]-3-methylsulfanylbut-2-enoate Traditional Name: (Z)-2-cyano-4-[(3Z)-3-(1-cyano-2-ethoxy-2-keto-ethylidene)-5,5-dimethyl-cyclohexen-1-yl]-3-(methylthio)but-2-enoic acid ethyl ester Formula: C21H26N2O4S MolecularWeight: 402.50714

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(=C1CC(CC(=C1)CC(=C(C#N)C(=O)OCC)SC)(C)C)C#N

Isomeric SMILES

CCOC(=O)/C(=C\1/CC(CC(=C1)C/C(=C(\C#N)/C(=O)OCC)/SC)(C)C)/C#N

InChI

InChI=1S/C21H26N2O4S/c1-6-26-19(24)16(12-22)15-8-14(10-21(3,4)11-15)9-18(28-5)17(13-23)20(25)27-7-2/h8H,6-7,9-11H2,1-5H3/b16-15+,18-17-