O5-ethyl O3-methyl 2-(2-cyanoethyl)-1-ethylsulfanyl-4,6-dimethyl-4-(3-nitrophenyl)pyridine-3,5-dicarboxylate

Systemtic Name: O5-ethyl O3-methyl 2-(2-cyanoethyl)-1-ethylsulfanyl-4,6-dimethyl-4-(3-nitrophenyl)pyridine-3,5-dicarboxylate Openeye Name: O5-ethyl O3-methyl 2-(2-cyanoethyl)-1-ethylsulfanyl-4,6-dimethyl-4-(3-nitrophenyl)pyridine-3,5-dicarboxylate CAS Name: 2-(2-cyanoethyl)-1-(ethylthio)-4,6-dimethyl-4-(3-nitrophenyl)pyridine-3,5-dicarboxylic acid O5-ethyl ester O3-methyl ester IUPAC Name: 5-O-ethyl 3-O-methyl 2-(2-cyanoethyl)-1-ethylsulfanyl-4,6-dimethyl-4-(3-nitrophenyl)pyridine-3,5-dicarboxylate Traditional Name: 2-(2-cyanoethyl)-1-(ethylthio)-4,6-dimethyl-4-(3-nitrophenyl)pyridine-3,5-dicarboxylic acid O5-ethyl ester O3-methyl ester Formula: C23H27N3O6S MolecularWeight: 473.54198

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(N(C(=C(C1(C)C2=CC(=CC=C2)[N+](=O)[O-])C(=O)OC)CCC#N)SCC)C

Isomeric SMILES

CCOC(=O)C1=C(N(C(=C(C1(C)C2=CC(=CC=C2)[N+](=O)[O-])C(=O)OC)CCC#N)SCC)C

InChI

InChI=1S/C23H27N3O6S/c1-6-32-22(28)19-15(3)25(33-7-2)18(12-9-13-24)20(21(27)31-5)23(19,4)16-10-8-11-17(14-16)26(29)30/h8,10-11,14H,6-7,9,12H2,1-5H3