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

Systemtic Name: dimethyl (4S)-4-(5-bromanylthiophen-2-yl)-2,6-dimethyl-3,4-dihydropyridine-3,5-dicarboxylate Openeye Name: dimethyl (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 dimethyl ester IUPAC Name: dimethyl (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 dimethyl ester Formula: C15H16BrNO4S MolecularWeight: 386.26084

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H16BrNO4S/c1-7-11(14(18)20-3)13(9-5-6-10(16)22-9)12(8(2)17-7)15(19)21-4/h5-6,11,13H,1-4H3/t11?,13-/m0/s1