diethyl 1-(3-cyclohexylpropanoylsulfanyl)-2,6-dimethyl-4-(3-nitrophenyl)-4H-pyridine-3,5-dicarboxylate

Systemtic Name: diethyl 1-(3-cyclohexylpropanoylsulfanyl)-2,6-dimethyl-4-(3-nitrophenyl)-4H-pyridine-3,5-dicarboxylate Openeye Name: diethyl 1-(3-cyclohexylpropanoylsulfanyl)-2,6-dimethyl-4-(3-nitrophenyl)-4H-pyridine-3,5-dicarboxylate CAS Name: 1-[(3-cyclohexyl-1-oxopropyl)thio]-2,6-dimethyl-4-(3-nitrophenyl)-4H-pyridine-3,5-dicarboxylic acid diethyl ester IUPAC Name: diethyl 1-(3-cyclohexylpropanoylsulfanyl)-2,6-dimethyl-4-(3-nitrophenyl)-4H-pyridine-3,5-dicarboxylate Traditional Name: 1-(3-cyclohexylpropanoylthio)-2,6-dimethyl-4-(3-nitrophenyl)-4H-pyridine-3,5-dicarboxylic acid diethyl ester Formula: C28H36N2O7S MolecularWeight: 544.65964

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(N(C(=C(C1C2=CC(=CC=C2)[N+](=O)[O-])C(=O)OCC)C)SC(=O)CCC3CCCCC3)C

Isomeric SMILES

CCOC(=O)C1=C(N(C(=C(C1C2=CC(=CC=C2)[N+](=O)[O-])C(=O)OCC)C)SC(=O)CCC3CCCCC3)C

InChI

InChI=1S/C28H36N2O7S/c1-5-36-27(32)24-18(3)29(38-23(31)16-15-20-11-8-7-9-12-20)19(4)25(28(33)37-6-2)26(24)21-13-10-14-22(17-21)30(34)35/h10,13-14,17,20,26H,5-9,11-12,15-16H2,1-4H3