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

Systemtic Name: diethyl 2-[(5-bromanylpyridin-3-yl)carbonyloxymethylsulfanylmethyl]-6-methyl-4-(2-nitrophenyl)-1,4-dihydropyridine-3,5-dicarboxylate Openeye Name: diethyl 2-[(5-bromopyridine-3-carbonyl)oxymethylsulfanylmethyl]-6-methyl-4-(2-nitrophenyl)-1,4-dihydropyridine-3,5-dicarboxylate CAS Name: 2-[[[(5-bromo-3-pyridinyl)-oxomethoxy]methylthio]methyl]-6-methyl-4-(2-nitrophenyl)-1,4-dihydropyridine-3,5-dicarboxylic acid diethyl ester IUPAC Name: diethyl 2-[(5-bromopyridine-3-carbonyl)oxymethylsulfanylmethyl]-6-methyl-4-(2-nitrophenyl)-1,4-dihydropyridine-3,5-dicarboxylate Traditional Name: 2-[[(5-bromonicotinoyl)oxymethylthio]methyl]-6-methyl-4-(2-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)CSCOC(=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)CSCOC(=O)C3=CC(=CN=C3)Br)C

InChI

InChI=1S/C26H26BrN3O8S/c1-4-36-25(32)21-15(3)29-19(13-39-14-38-24(31)16-10-17(27)12-28-11-16)23(26(33)37-5-2)22(21)18-8-6-7-9-20(18)30(34)35/h6-12,22,29H,4-5,13-14H2,1-3H3