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

Systemtic Name: 6-(4-chlorophenyl)-3-(piperidin-1-ylmethylideneamino)thieno[2,3-b]pyridine-2-carboxylic acid Openeye Name: 6-(4-chlorophenyl)-3-(1-piperidylmethyleneamino)thieno[2,3-b]pyridine-2-carboxylic acid CAS Name: 6-(4-chlorophenyl)-3-(1-piperidinylmethylideneamino)-2-thieno[2,3-b]pyridinecarboxylic acid IUPAC Name: 6-(4-chlorophenyl)-3-(piperidin-1-ylmethylideneamino)thieno[2,3-b]pyridine-2-carboxylic acid Traditional Name: 6-(4-chlorophenyl)-3-(piperidinomethyleneamino)thieno[2,3-b]pyridine-2-carboxylic acid Formula: C20H18ClN3O2S MolecularWeight: 399.89382

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(CC1)C=NC2=C(SC3=C2C=CC(=N3)C4=CC=C(C=C4)Cl)C(=O)O

Isomeric SMILES

C1CCN(CC1)C=NC2=C(SC3=C2C=CC(=N3)C4=CC=C(C=C4)Cl)C(=O)O

InChI

InChI=1S/C20H18ClN3O2S/c21-14-6-4-13(5-7-14)16-9-8-15-17(18(20(25)26)27-19(15)23-16)22-12-24-10-2-1-3-11-24/h4-9,12H,1-3,10-11H2,(H,25,26)