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

Systemtic Name: diethyl 2-(2-methoxypropan-2-ylsulfanylmethyl)-6-methyl-4-(3-nitrophenyl)-1,4-dihydropyridine-3,5-dicarboxylate Openeye Name: diethyl 2-[(1-methoxy-1-methyl-ethyl)sulfanylmethyl]-6-methyl-4-(3-nitrophenyl)-1,4-dihydropyridine-3,5-dicarboxylate CAS Name: 2-[(2-methoxypropan-2-ylthio)methyl]-6-methyl-4-(3-nitrophenyl)-1,4-dihydropyridine-3,5-dicarboxylic acid diethyl ester IUPAC Name: diethyl 2-(2-methoxypropan-2-ylsulfanylmethyl)-6-methyl-4-(3-nitrophenyl)-1,4-dihydropyridine-3,5-dicarboxylate Traditional Name: 2-[[(1-methoxy-1-methyl-ethyl)thio]methyl]-6-methyl-4-(3-nitrophenyl)-1,4-dihydropyridine-3,5-dicarboxylic acid diethyl ester Formula: C23H30N2O7S MolecularWeight: 478.5585

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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(C)(C)OC)C

Isomeric SMILES

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

InChI

InChI=1S/C23H30N2O7S/c1-7-31-21(26)18-14(3)24-17(13-33-23(4,5)30-6)20(22(27)32-8-2)19(18)15-10-9-11-16(12-15)25(28)29/h9-12,19,24H,7-8,13H2,1-6H3