3-[[C-ethyl-N-(2-hydroxyethyl)carbonimidoyl]amino]-6-(4-fluorophenyl)-4-methyl-thieno[2,3-b]pyridine-2-carboxylic acid

Systemtic Name: 3-[[C-ethyl-N-(2-hydroxyethyl)carbonimidoyl]amino]-6-(4-fluorophenyl)-4-methyl-thieno[2,3-b]pyridine-2-carboxylic acid Openeye Name: 3-[[C-ethyl-N-(2-hydroxyethyl)carbonimidoyl]amino]-6-(4-fluorophenyl)-4-methyl-thieno[2,3-b]pyridine-2-carboxylic acid CAS Name: 6-(4-fluorophenyl)-3-[1-(2-hydroxyethylimino)propylamino]-4-methyl-2-thieno[2,3-b]pyridinecarboxylic acid IUPAC Name: 3-[[C-ethyl-N-(2-hydroxyethyl)carbonimidoyl]amino]-6-(4-fluorophenyl)-4-methylthieno[2,3-b]pyridine-2-carboxylic acid Traditional Name: 3-[[C-ethyl-N-(2-hydroxyethyl)carbonimidoyl]amino]-6-(4-fluorophenyl)-4-methyl-thieno[2,3-b]pyridine-2-carboxylic acid Formula: C20H20FN3O3S MolecularWeight: 401.454503

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Descriptors Computed from Structure

Canonical SMILES:

CCC(=NCCO)NC1=C(SC2=C1C(=CC(=N2)C3=CC=C(C=C3)F)C)C(=O)O

Isomeric SMILES

CCC(=NCCO)NC1=C(SC2=C1C(=CC(=N2)C3=CC=C(C=C3)F)C)C(=O)O

InChI

InChI=1S/C20H20FN3O3S/c1-3-15(22-8-9-25)24-17-16-11(2)10-14(12-4-6-13(21)7-5-12)23-19(16)28-18(17)20(26)27/h4-7,10,25H,3,8-9H2,1-2H3,(H,22,24)(H,26,27)