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

Systemtic Name: ditert-butyl (4S)-4-(5-bromanylthiophen-2-yl)-2,6-dimethyl-3,4-dihydropyridine-3,5-dicarboxylate Openeye Name: ditert-butyl (4S)-4-(5-bromo-2-thienyl)-2,6-dimethyl-3,4-dihydropyridine-3,5-dicarboxylate CAS Name: (4S)-4-(5-bromo-2-thiophenyl)-2,6-dimethyl-3,4-dihydropyridine-3,5-dicarboxylic acid ditert-butyl ester IUPAC Name: ditert-butyl (4S)-4-(5-bromothiophen-2-yl)-2,6-dimethyl-3,4-dihydropyridine-3,5-dicarboxylate Traditional Name: (4S)-4-(5-bromo-2-thienyl)-2,6-dimethyl-3,4-dihydropyridine-3,5-dicarboxylic acid ditert-butyl ester Formula: C21H28BrNO4S MolecularWeight: 470.42032

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC(=C(C(C1C(=O)OC(C)(C)C)C2=CC=C(S2)Br)C(=O)OC(C)(C)C)C

Isomeric SMILES

CC1=NC(=C([C@H](C1C(=O)OC(C)(C)C)C2=CC=C(S2)Br)C(=O)OC(C)(C)C)C

InChI

InChI=1S/C21H28BrNO4S/c1-11-15(18(24)26-20(3,4)5)17(13-9-10-14(22)28-13)16(12(2)23-11)19(25)27-21(6,7)8/h9-10,15,17H,1-8H3/t15?,17-/m0/s1