6-(4-bromophenyl)-4-methyl-3-(piperidin-1-ylmethylideneamino)thieno[2,3-b]pyridine-2-carboxylic acid

Systemtic Name: 6-(4-bromophenyl)-4-methyl-3-(piperidin-1-ylmethylideneamino)thieno[2,3-b]pyridine-2-carboxylic acid Openeye Name: 6-(4-bromophenyl)-4-methyl-3-(1-piperidylmethyleneamino)thieno[2,3-b]pyridine-2-carboxylic acid CAS Name: 6-(4-bromophenyl)-4-methyl-3-(1-piperidinylmethylideneamino)-2-thieno[2,3-b]pyridinecarboxylic acid IUPAC Name: 6-(4-bromophenyl)-4-methyl-3-(piperidin-1-ylmethylideneamino)thieno[2,3-b]pyridine-2-carboxylic acid Traditional Name: 6-(4-bromophenyl)-4-methyl-3-(piperidinomethyleneamino)thieno[2,3-b]pyridine-2-carboxylic acid Formula: C21H20BrN3O2S MolecularWeight: 458.3714

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NC2=C1C(=C(S2)C(=O)O)N=CN3CCCCC3)C4=CC=C(C=C4)Br

Isomeric SMILES

CC1=CC(=NC2=C1C(=C(S2)C(=O)O)N=CN3CCCCC3)C4=CC=C(C=C4)Br

InChI

InChI=1S/C21H20BrN3O2S/c1-13-11-16(14-5-7-15(22)8-6-14)24-20-17(13)18(19(28-20)21(26)27)23-12-25-9-3-2-4-10-25/h5-8,11-12H,2-4,9-10H2,1H3,(H,26,27)