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

Systemtic Name: ethyl 7-[(3-fluorophenyl)methyl]-2-(4-methoxyphenyl)-3-[[methyl-(phenylmethyl)amino]methyl]-4-oxidanylidene-thieno[2,3-b]pyridine-5-carboxylate hydrochloride Openeye Name: ethyl 3-[[benzyl(methyl)amino]methyl]-7-[(3-fluorophenyl)methyl]-2-(4-methoxyphenyl)-4-oxo-thieno[2,3-b]pyridine-5-carboxylate hydrochloride CAS Name: 7-[(3-fluorophenyl)methyl]-2-(4-methoxyphenyl)-3-[[methyl-(phenylmethyl)amino]methyl]-4-oxo-5-thieno[2,3-b]pyridinecarboxylic acid ethyl ester hydrochloride IUPAC Name: ethyl 3-[[benzyl(methyl)amino]methyl]-7-[(3-fluorophenyl)methyl]-2-(4-methoxyphenyl)-4-oxothieno[2,3-b]pyridine-5-carboxylate hydrochloride Traditional Name: 3-[[benzyl(methyl)amino]methyl]-7-(3-fluorobenzyl)-4-keto-2-(4-methoxyphenyl)thieno[2,3-b]pyridine-5-carboxylic acid ethyl ester hydrochloride Formula: C33H32ClFN2O4S MolecularWeight: 607.134583

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CN(C2=C(C1=O)C(=C(S2)C3=CC=C(C=C3)OC)CN(C)CC4=CC=CC=C4)CC5=CC(=CC=C5)F.Cl

Isomeric SMILES

CCOC(=O)C1=CN(C2=C(C1=O)C(=C(S2)C3=CC=C(C=C3)OC)CN(C)CC4=CC=CC=C4)CC5=CC(=CC=C5)F.Cl

InChI

InChI=1S/C33H31FN2O4S.ClH/c1-4-40-33(38)28-21-36(19-23-11-8-12-25(34)17-23)32-29(30(28)37)27(20-35(2)18-22-9-6-5-7-10-22)31(41-32)24-13-15-26(39-3)16-14-24;/h5-17,21H,4,18-20H2,1-3H3;1H