bis(3-pyridin-3-ylpropyl) 4-(4-bromanylthiophen-2-yl)-2,6-dimethyl-1,4-dihydropyridine-3,5-dicarboxylate

Systemtic Name: bis(3-pyridin-3-ylpropyl) 4-(4-bromanylthiophen-2-yl)-2,6-dimethyl-1,4-dihydropyridine-3,5-dicarboxylate Openeye Name: bis[3-(3-pyridyl)propyl] 4-(4-bromo-2-thienyl)-2,6-dimethyl-1,4-dihydropyridine-3,5-dicarboxylate CAS Name: 4-(4-bromo-2-thiophenyl)-2,6-dimethyl-1,4-dihydropyridine-3,5-dicarboxylic acid bis[3-(3-pyridinyl)propyl] ester IUPAC Name: bis(3-pyridin-3-ylpropyl) 4-(4-bromothiophen-2-yl)-2,6-dimethyl-1,4-dihydropyridine-3,5-dicarboxylate Traditional Name: 4-(4-bromo-2-thienyl)-2,6-dimethyl-1,4-dihydropyridine-3,5-dicarboxylic acid bis[3-(3-pyridyl)propyl] ester Formula: C29H30BrN3O4S MolecularWeight: 596.5352

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(C(=C(N1)C)C(=O)OCCCC2=CN=CC=C2)C3=CC(=CS3)Br)C(=O)OCCCC4=CN=CC=C4

Isomeric SMILES

CC1=C(C(C(=C(N1)C)C(=O)OCCCC2=CN=CC=C2)C3=CC(=CS3)Br)C(=O)OCCCC4=CN=CC=C4

InChI

InChI=1S/C29H30BrN3O4S/c1-19-25(28(34)36-13-5-9-21-7-3-11-31-16-21)27(24-15-23(30)18-38-24)26(20(2)33-19)29(35)37-14-6-10-22-8-4-12-32-17-22/h3-4,7-8,11-12,15-18,27,33H,5-6,9-10,13-14H2,1-2H3