diethyl 2-[(1-methanoyl-5,6-dihydro-4H-pyrimidin-2-yl)sulfanylmethyl]-6-methyl-4-(3-nitrophenyl)-1,4-dihydropyridine-3,5-dicarboxylate

Systemtic Name: diethyl 2-[(1-methanoyl-5,6-dihydro-4H-pyrimidin-2-yl)sulfanylmethyl]-6-methyl-4-(3-nitrophenyl)-1,4-dihydropyridine-3,5-dicarboxylate Openeye Name: diethyl 2-[(1-formyl-5,6-dihydro-4H-pyrimidin-2-yl)sulfanylmethyl]-6-methyl-4-(3-nitrophenyl)-1,4-dihydropyridine-3,5-dicarboxylate CAS Name: 2-[[(1-formyl-5,6-dihydro-4H-pyrimidin-2-yl)thio]methyl]-6-methyl-4-(3-nitrophenyl)-1,4-dihydropyridine-3,5-dicarboxylic acid diethyl ester IUPAC Name: diethyl 2-[(1-formyl-5,6-dihydro-4H-pyrimidin-2-yl)sulfanylmethyl]-6-methyl-4-(3-nitrophenyl)-1,4-dihydropyridine-3,5-dicarboxylate Traditional Name: 2-[[(1-formyl-5,6-dihydro-4H-pyrimidin-2-yl)thio]methyl]-6-methyl-4-(3-nitrophenyl)-1,4-dihydropyridine-3,5-dicarboxylic acid diethyl ester Formula: C24H28N4O7S MolecularWeight: 516.56672

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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=NCCCN3C=O)C

Isomeric SMILES

CCOC(=O)C1=C(NC(=C(C1C2=CC(=CC=C2)[N+](=O)[O-])C(=O)OCC)CSC3=NCCCN3C=O)C

InChI

InChI=1S/C24H28N4O7S/c1-4-34-22(30)19-15(3)26-18(13-36-24-25-10-7-11-27(24)14-29)21(23(31)35-5-2)20(19)16-8-6-9-17(12-16)28(32)33/h6,8-9,12,14,20,26H,4-5,7,10-11,13H2,1-3H3