diethyl 4-(4-bromanylthiophen-2-yl)-2,6-dimethyl-1,4-dihydropyridine-3,5-dicarboxylate

Systemtic Name: diethyl 4-(4-bromanylthiophen-2-yl)-2,6-dimethyl-1,4-dihydropyridine-3,5-dicarboxylate Openeye Name: diethyl 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 diethyl ester IUPAC Name: diethyl 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 diethyl ester Formula: C17H20BrNO4S MolecularWeight: 414.314

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(NC(=C(C1C2=CC(=CS2)Br)C(=O)OCC)C)C

Isomeric SMILES

CCOC(=O)C1=C(NC(=C(C1C2=CC(=CS2)Br)C(=O)OCC)C)C

InChI

InChI=1S/C17H20BrNO4S/c1-5-22-16(20)13-9(3)19-10(4)14(17(21)23-6-2)15(13)12-7-11(18)8-24-12/h7-8,15,19H,5-6H2,1-4H3