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

Systemtic Name: ditert-butyl 4-(4-bromanylthiophen-2-yl)-2,6-dimethyl-1,4-dihydropyridine-3,5-dicarboxylate Openeye Name: ditert-butyl 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 ditert-butyl ester IUPAC Name: ditert-butyl 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 ditert-butyl ester Formula: C21H28BrNO4S MolecularWeight: 470.42032

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(C(=C(N1)C)C(=O)OC(C)(C)C)C2=CC(=CS2)Br)C(=O)OC(C)(C)C

Isomeric SMILES

CC1=C(C(C(=C(N1)C)C(=O)OC(C)(C)C)C2=CC(=CS2)Br)C(=O)OC(C)(C)C

InChI

InChI=1S/C21H28BrNO4S/c1-11-15(18(24)26-20(3,4)5)17(14-9-13(22)10-28-14)16(12(2)23-11)19(25)27-21(6,7)8/h9-10,17,23H,1-8H3