diethyl 2-methyl-4-(3-nitrophenyl)-6-(pyrimidin-2-ylsulfanylmethyl)pyridine-3,5-dicarboxylate

Systemtic Name: diethyl 2-methyl-4-(3-nitrophenyl)-6-(pyrimidin-2-ylsulfanylmethyl)pyridine-3,5-dicarboxylate Openeye Name: diethyl 2-methyl-4-(3-nitrophenyl)-6-(pyrimidin-2-ylsulfanylmethyl)pyridine-3,5-dicarboxylate CAS Name: 2-methyl-4-(3-nitrophenyl)-6-[(2-pyrimidinylthio)methyl]pyridine-3,5-dicarboxylic acid diethyl ester IUPAC Name: diethyl 2-methyl-4-(3-nitrophenyl)-6-(pyrimidin-2-ylsulfanylmethyl)pyridine-3,5-dicarboxylate Traditional Name: 2-methyl-4-(3-nitrophenyl)-6-[(2-pyrimidylthio)methyl]pyridine-3,5-dicarboxylic acid diethyl ester Formula: C23H22N4O6S MolecularWeight: 482.50898

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(C(=C(N=C1C)CSC2=NC=CC=N2)C(=O)OCC)C3=CC(=CC=C3)[N+](=O)[O-]

Isomeric SMILES

CCOC(=O)C1=C(C(=C(N=C1C)CSC2=NC=CC=N2)C(=O)OCC)C3=CC(=CC=C3)[N+](=O)[O-]

InChI

InChI=1S/C23H22N4O6S/c1-4-32-21(28)18-14(3)26-17(13-34-23-24-10-7-11-25-23)20(22(29)33-5-2)19(18)15-8-6-9-16(12-15)27(30)31/h6-12H,4-5,13H2,1-3H3