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

Systemtic Name: diethyl 2-[(4,6-dimethylpyrimidin-2-yl)sulfanylmethyl]-6-methyl-4-(3-nitrophenyl)-1,4-dihydropyridine-3,5-dicarboxylate Openeye Name: diethyl 2-[(4,6-dimethylpyrimidin-2-yl)sulfanylmethyl]-6-methyl-4-(3-nitrophenyl)-1,4-dihydropyridine-3,5-dicarboxylate CAS Name: 2-[[(4,6-dimethyl-2-pyrimidinyl)thio]methyl]-6-methyl-4-(3-nitrophenyl)-1,4-dihydropyridine-3,5-dicarboxylic acid diethyl ester IUPAC Name: diethyl 2-[(4,6-dimethylpyrimidin-2-yl)sulfanylmethyl]-6-methyl-4-(3-nitrophenyl)-1,4-dihydropyridine-3,5-dicarboxylate Traditional Name: 2-[[(4,6-dimethylpyrimidin-2-yl)thio]methyl]-6-methyl-4-(3-nitrophenyl)-1,4-dihydropyridine-3,5-dicarboxylic acid diethyl ester Formula: C25H28N4O6S MolecularWeight: 512.57802

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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(=CC(=N3)C)C)C

Isomeric SMILES

CCOC(=O)C1=C(NC(=C(C1C2=CC(=CC=C2)[N+](=O)[O-])C(=O)OCC)CSC3=NC(=CC(=N3)C)C)C

InChI

InChI=1S/C25H28N4O6S/c1-6-34-23(30)20-16(5)28-19(13-36-25-26-14(3)11-15(4)27-25)22(24(31)35-7-2)21(20)17-9-8-10-18(12-17)29(32)33/h8-12,21,28H,6-7,13H2,1-5H3