3-(2-ethoxy-2-oxidanylidene-ethyl)-7-[(2-fluorophenyl)methyl]-2-(4-methoxyphenyl)-4-oxidanylidene-thieno[2,3-b]pyridine-5-carboxylic acid

Systemtic Name: 3-(2-ethoxy-2-oxidanylidene-ethyl)-7-[(2-fluorophenyl)methyl]-2-(4-methoxyphenyl)-4-oxidanylidene-thieno[2,3-b]pyridine-5-carboxylic acid Openeye Name: 3-(2-ethoxy-2-oxo-ethyl)-7-[(2-fluorophenyl)methyl]-2-(4-methoxyphenyl)-4-oxo-thieno[2,3-b]pyridine-5-carboxylic acid CAS Name: 3-(2-ethoxy-2-oxoethyl)-7-[(2-fluorophenyl)methyl]-2-(4-methoxyphenyl)-4-oxo-5-thieno[2,3-b]pyridinecarboxylic acid IUPAC Name: 3-(2-ethoxy-2-oxoethyl)-7-[(2-fluorophenyl)methyl]-2-(4-methoxyphenyl)-4-oxothieno[2,3-b]pyridine-5-carboxylic acid Traditional Name: 3-(2-ethoxy-2-keto-ethyl)-7-(2-fluorobenzyl)-4-keto-2-(4-methoxyphenyl)thieno[2,3-b]pyridine-5-carboxylic acid Formula: C26H22FNO6S MolecularWeight: 495.519383

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CC1=C(SC2=C1C(=O)C(=CN2CC3=CC=CC=C3F)C(=O)O)C4=CC=C(C=C4)OC

Isomeric SMILES

CCOC(=O)CC1=C(SC2=C1C(=O)C(=CN2CC3=CC=CC=C3F)C(=O)O)C4=CC=C(C=C4)OC

InChI

InChI=1S/C26H22FNO6S/c1-3-34-21(29)12-18-22-23(30)19(26(31)32)14-28(13-16-6-4-5-7-20(16)27)25(22)35-24(18)15-8-10-17(33-2)11-9-15/h4-11,14H,3,12-13H2,1-2H3,(H,31,32)