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

Systemtic Name: 6-(4-bromophenyl)-3-(1-piperidin-1-ylethylideneamino)thieno[2,3-b]pyridine-2-carboxylic acid Openeye Name: 6-(4-bromophenyl)-3-[1-(1-piperidyl)ethylideneamino]thieno[2,3-b]pyridine-2-carboxylic acid CAS Name: 6-(4-bromophenyl)-3-[1-(1-piperidinyl)ethylideneamino]-2-thieno[2,3-b]pyridinecarboxylic acid IUPAC Name: 6-(4-bromophenyl)-3-(1-piperidin-1-ylethylideneamino)thieno[2,3-b]pyridine-2-carboxylic acid Traditional Name: 6-(4-bromophenyl)-3-(1-piperidinoethylideneamino)thieno[2,3-b]pyridine-2-carboxylic acid Formula: C21H20BrN3O2S MolecularWeight: 458.3714

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Descriptors Computed from Structure

Canonical SMILES:

CC(=NC1=C(SC2=C1C=CC(=N2)C3=CC=C(C=C3)Br)C(=O)O)N4CCCCC4

Isomeric SMILES

CC(=NC1=C(SC2=C1C=CC(=N2)C3=CC=C(C=C3)Br)C(=O)O)N4CCCCC4

InChI

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