diethyl 2-(3-cyclohexylpropanoylsulfanylmethyl)-6-methyl-4-(3-nitrophenyl)-1,4-dihydropyridine-3,5-dicarboxylate

Systemtic Name: diethyl 2-(3-cyclohexylpropanoylsulfanylmethyl)-6-methyl-4-(3-nitrophenyl)-1,4-dihydropyridine-3,5-dicarboxylate Openeye Name: diethyl 2-(3-cyclohexylpropanoylsulfanylmethyl)-6-methyl-4-(3-nitrophenyl)-1,4-dihydropyridine-3,5-dicarboxylate CAS Name: 2-[[(3-cyclohexyl-1-oxopropyl)thio]methyl]-6-methyl-4-(3-nitrophenyl)-1,4-dihydropyridine-3,5-dicarboxylic acid diethyl ester IUPAC Name: diethyl 2-(3-cyclohexylpropanoylsulfanylmethyl)-6-methyl-4-(3-nitrophenyl)-1,4-dihydropyridine-3,5-dicarboxylate Traditional Name: 2-[(3-cyclohexylpropanoylthio)methyl]-6-methyl-4-(3-nitrophenyl)-1,4-dihydropyridine-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(NC(=C(C1C2=CC(=CC=C2)[N+](=O)[O-])C(=O)OCC)CSC(=O)CCC3CCCCC3)C

Isomeric SMILES

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

InChI

InChI=1S/C28H36N2O7S/c1-4-36-27(32)24-18(3)29-22(17-38-23(31)15-14-19-10-7-6-8-11-19)26(28(33)37-5-2)25(24)20-12-9-13-21(16-20)30(34)35/h9,12-13,16,19,25,29H,4-8,10-11,14-15,17H2,1-3H3