dimethyl 4-(3-bromanyl-1-benzothiophen-2-yl)-2,6-dimethyl-1,4-dihydropyridine-3,5-dicarboxylate

Systemtic Name: dimethyl 4-(3-bromanyl-1-benzothiophen-2-yl)-2,6-dimethyl-1,4-dihydropyridine-3,5-dicarboxylate Openeye Name: dimethyl 4-(3-bromobenzothiophen-2-yl)-2,6-dimethyl-1,4-dihydropyridine-3,5-dicarboxylate CAS Name: 4-(3-bromo-1-benzothiophen-2-yl)-2,6-dimethyl-1,4-dihydropyridine-3,5-dicarboxylic acid dimethyl ester IUPAC Name: dimethyl 4-(3-bromo-1-benzothiophen-2-yl)-2,6-dimethyl-1,4-dihydropyridine-3,5-dicarboxylate Traditional Name: 4-(3-bromobenzothiophen-2-yl)-2,6-dimethyl-1,4-dihydropyridine-3,5-dicarboxylic acid dimethyl ester Formula: C19H18BrNO4S MolecularWeight: 436.31952

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(C(=C(N1)C)C(=O)OC)C2=C(C3=CC=CC=C3S2)Br)C(=O)OC

Isomeric SMILES

CC1=C(C(C(=C(N1)C)C(=O)OC)C2=C(C3=CC=CC=C3S2)Br)C(=O)OC

InChI

InChI=1S/C19H18BrNO4S/c1-9-13(18(22)24-3)15(14(10(2)21-9)19(23)25-4)17-16(20)11-7-5-6-8-12(11)26-17/h5-8,15,21H,1-4H3