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

Systemtic Name: 7-[(2-fluorophenyl)methyl]-2-(4-methoxyphenyl)-3-[2-[methyl-(phenylmethyl)amino]ethyl]-4-oxidanylidene-thieno[2,3-b]pyridine-5-carboxylic acid Openeye Name: 3-[2-[benzyl(methyl)amino]ethyl]-7-[(2-fluorophenyl)methyl]-2-(4-methoxyphenyl)-4-oxo-thieno[2,3-b]pyridine-5-carboxylic acid CAS Name: 7-[(2-fluorophenyl)methyl]-2-(4-methoxyphenyl)-3-[2-[methyl-(phenylmethyl)amino]ethyl]-4-oxo-5-thieno[2,3-b]pyridinecarboxylic acid IUPAC Name: 3-[2-[benzyl(methyl)amino]ethyl]-7-[(2-fluorophenyl)methyl]-2-(4-methoxyphenyl)-4-oxothieno[2,3-b]pyridine-5-carboxylic acid Traditional Name: 3-[2-[benzyl(methyl)amino]ethyl]-7-(2-fluorobenzyl)-4-keto-2-(4-methoxyphenyl)thieno[2,3-b]pyridine-5-carboxylic acid Formula: C32H29FN2O4S MolecularWeight: 556.647063

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Descriptors Computed from Structure

Canonical SMILES:

CN(CCC1=C(SC2=C1C(=O)C(=CN2CC3=CC=CC=C3F)C(=O)O)C4=CC=C(C=C4)OC)CC5=CC=CC=C5

Isomeric SMILES

CN(CCC1=C(SC2=C1C(=O)C(=CN2CC3=CC=CC=C3F)C(=O)O)C4=CC=C(C=C4)OC)CC5=CC=CC=C5

InChI

InChI=1S/C32H29FN2O4S/c1-34(18-21-8-4-3-5-9-21)17-16-25-28-29(36)26(32(37)38)20-35(19-23-10-6-7-11-27(23)33)31(28)40-30(25)22-12-14-24(39-2)15-13-22/h3-15,20H,16-19H2,1-2H3,(H,37,38)