diethyl 2-methyl-6-[(1-methylimidazol-2-yl)sulfanylmethyl]-4-(3-nitrophenyl)-1,4-dihydropyridine-3,5-dicarboxylate

Systemtic Name: diethyl 2-methyl-6-[(1-methylimidazol-2-yl)sulfanylmethyl]-4-(3-nitrophenyl)-1,4-dihydropyridine-3,5-dicarboxylate Openeye Name: diethyl 2-methyl-6-[(1-methylimidazol-2-yl)sulfanylmethyl]-4-(3-nitrophenyl)-1,4-dihydropyridine-3,5-dicarboxylate CAS Name: 2-methyl-6-[[(1-methyl-2-imidazolyl)thio]methyl]-4-(3-nitrophenyl)-1,4-dihydropyridine-3,5-dicarboxylic acid diethyl ester IUPAC Name: diethyl 2-methyl-6-[(1-methylimidazol-2-yl)sulfanylmethyl]-4-(3-nitrophenyl)-1,4-dihydropyridine-3,5-dicarboxylate Traditional Name: 2-methyl-6-[[(1-methylimidazol-2-yl)thio]methyl]-4-(3-nitrophenyl)-1,4-dihydropyridine-3,5-dicarboxylic acid diethyl ester Formula: C23H26N4O6S MolecularWeight: 486.54074

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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)CSC3=NC=CN3C)C

Isomeric SMILES

CCOC(=O)C1=C(NC(=C(C1C2=CC(=CC=C2)[N+](=O)[O-])C(=O)OCC)CSC3=NC=CN3C)C

InChI

InChI=1S/C23H26N4O6S/c1-5-32-21(28)18-14(3)25-17(13-34-23-24-10-11-26(23)4)20(22(29)33-6-2)19(18)15-8-7-9-16(12-15)27(30)31/h7-12,19,25H,5-6,13H2,1-4H3