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

Systemtic Name: 4-(2-bromanyl-1-benzothiophen-3-yl)-2,6-dimethyl-1,4-dihydropyridine-3,5-dicarboxylic acid Openeye Name: 4-(2-bromobenzothiophen-3-yl)-2,6-dimethyl-1,4-dihydropyridine-3,5-dicarboxylic acid CAS Name: 4-(2-bromo-1-benzothiophen-3-yl)-2,6-dimethyl-1,4-dihydropyridine-3,5-dicarboxylic acid IUPAC Name: 4-(2-bromo-1-benzothiophen-3-yl)-2,6-dimethyl-1,4-dihydropyridine-3,5-dicarboxylic acid Traditional Name: 4-(2-bromobenzothiophen-3-yl)-2,6-dimethyl-1,4-dihydropyridine-3,5-dicarboxylic acid Formula: C17H14BrNO4S MolecularWeight: 408.26636

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(C(=C(N1)C)C(=O)O)C2=C(SC3=CC=CC=C32)Br)C(=O)O

Isomeric SMILES

CC1=C(C(C(=C(N1)C)C(=O)O)C2=C(SC3=CC=CC=C32)Br)C(=O)O

InChI

InChI=1S/C17H14BrNO4S/c1-7-11(16(20)21)14(12(17(22)23)8(2)19-7)13-9-5-3-4-6-10(9)24-15(13)18/h3-6,14,19H,1-2H3,(H,20,21)(H,22,23)