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

Systemtic Name: 2-(4-methoxyphenyl)-3-[[methyl-(phenylmethyl)amino]methyl]-4-oxidanylidene-7H-thieno[2,3-b]pyridine-5-carboxylic acid Openeye Name: 3-[[benzyl(methyl)amino]methyl]-2-(4-methoxyphenyl)-4-oxo-7H-thieno[2,3-b]pyridine-5-carboxylic acid CAS Name: 2-(4-methoxyphenyl)-3-[[methyl-(phenylmethyl)amino]methyl]-4-oxo-7H-thieno[2,3-b]pyridine-5-carboxylic acid IUPAC Name: 3-[[benzyl(methyl)amino]methyl]-2-(4-methoxyphenyl)-4-oxo-7H-thieno[2,3-b]pyridine-5-carboxylic acid Traditional Name: 3-[[benzyl(methyl)amino]methyl]-4-keto-2-(4-methoxyphenyl)-7H-thieno[2,3-b]pyridine-5-carboxylic acid Formula: C24H22N2O4S MolecularWeight: 434.50748

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Descriptors Computed from Structure

Canonical SMILES:

CN(CC1=CC=CC=C1)CC2=C(SC3=C2C(=O)C(=CN3)C(=O)O)C4=CC=C(C=C4)OC

Isomeric SMILES

CN(CC1=CC=CC=C1)CC2=C(SC3=C2C(=O)C(=CN3)C(=O)O)C4=CC=C(C=C4)OC

InChI

InChI=1S/C24H22N2O4S/c1-26(13-15-6-4-3-5-7-15)14-19-20-21(27)18(24(28)29)12-25-23(20)31-22(19)16-8-10-17(30-2)11-9-16/h3-12H,13-14H2,1-2H3,(H,25,27)(H,28,29)