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

Systemtic Name: diethyl 2-[(5-bromanylpyridin-3-yl)carbonylsulfanylmethyl]-6-methyl-4-(3-nitrophenyl)-1,4-dihydropyridine-3,5-dicarboxylate Openeye Name: diethyl 2-[(5-bromopyridine-3-carbonyl)sulfanylmethyl]-6-methyl-4-(3-nitrophenyl)-1,4-dihydropyridine-3,5-dicarboxylate CAS Name: 2-[[[(5-bromo-3-pyridinyl)-oxomethyl]thio]methyl]-6-methyl-4-(3-nitrophenyl)-1,4-dihydropyridine-3,5-dicarboxylic acid diethyl ester IUPAC Name: diethyl 2-[(5-bromopyridine-3-carbonyl)sulfanylmethyl]-6-methyl-4-(3-nitrophenyl)-1,4-dihydropyridine-3,5-dicarboxylate Traditional Name: 2-[[(5-bromonicotinoyl)thio]methyl]-6-methyl-4-(3-nitrophenyl)-1,4-dihydropyridine-3,5-dicarboxylic acid diethyl ester Formula: C25H24BrN3O7S MolecularWeight: 590.44296

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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(=O)C3=CC(=CN=C3)Br)C

Isomeric SMILES

CCOC(=O)C1=C(NC(=C(C1C2=CC(=CC=C2)[N+](=O)[O-])C(=O)OCC)CSC(=O)C3=CC(=CN=C3)Br)C

InChI

InChI=1S/C25H24BrN3O7S/c1-4-35-23(30)20-14(3)28-19(13-37-25(32)16-9-17(26)12-27-11-16)22(24(31)36-5-2)21(20)15-7-6-8-18(10-15)29(33)34/h6-12,21,28H,4-5,13H2,1-3H3