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

Systemtic Name: diethyl 2-[(5-bromanylpyridin-3-yl)carbonyloxy-methylsulfanyl-methyl]-6-methyl-4-(3-nitrophenyl)-1,4-dihydropyridine-3,5-dicarboxylate Openeye Name: diethyl 2-[(5-bromopyridine-3-carbonyl)oxy-methylsulfanyl-methyl]-6-methyl-4-(3-nitrophenyl)-1,4-dihydropyridine-3,5-dicarboxylate CAS Name: 2-[[(5-bromo-3-pyridinyl)-oxomethoxy]-(methylthio)methyl]-6-methyl-4-(3-nitrophenyl)-1,4-dihydropyridine-3,5-dicarboxylic acid diethyl ester IUPAC Name: diethyl 2-[(5-bromopyridine-3-carbonyl)oxy-methylsulfanylmethyl]-6-methyl-4-(3-nitrophenyl)-1,4-dihydropyridine-3,5-dicarboxylate Traditional Name: 2-[(5-bromonicotinoyl)oxy-(methylthio)methyl]-6-methyl-4-(3-nitrophenyl)-1,4-dihydropyridine-3,5-dicarboxylic acid diethyl ester Formula: C26H26BrN3O8S MolecularWeight: 620.46894

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

Isomeric SMILES

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

InChI

InChI=1S/C26H26BrN3O8S/c1-5-36-24(32)19-14(3)29-22(26(39-4)38-23(31)16-10-17(27)13-28-12-16)21(25(33)37-6-2)20(19)15-8-7-9-18(11-15)30(34)35/h7-13,20,26,29H,5-6H2,1-4H3