9-[[4-(2-cyanophenyl)phenyl]methyl]-2-ethyl-5-methyl-4-oxidanylidene-thieno[2,3-b]quinoline-8-carboxylic acid

Systemtic Name: 9-[[4-(2-cyanophenyl)phenyl]methyl]-2-ethyl-5-methyl-4-oxidanylidene-thieno[2,3-b]quinoline-8-carboxylic acid Openeye Name: 9-[[4-(2-cyanophenyl)phenyl]methyl]-2-ethyl-5-methyl-4-oxo-thieno[2,3-b]quinoline-8-carboxylic acid CAS Name: 9-[[4-(2-cyanophenyl)phenyl]methyl]-2-ethyl-5-methyl-4-oxo-8-thieno[2,3-b]quinolinecarboxylic acid IUPAC Name: 9-[[4-(2-cyanophenyl)phenyl]methyl]-2-ethyl-5-methyl-4-oxothieno[2,3-b]quinoline-8-carboxylic acid Traditional Name: 9-[4-(2-cyanophenyl)benzyl]-2-ethyl-4-keto-5-methyl-thieno[2,3-b]quinoline-8-carboxylic acid Formula: C29H22N2O3S MolecularWeight: 478.56158

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC2=C(S1)N(C3=C(C=CC(=C3C2=O)C)C(=O)O)CC4=CC=C(C=C4)C5=CC=CC=C5C#N

Isomeric SMILES

CCC1=CC2=C(S1)N(C3=C(C=CC(=C3C2=O)C)C(=O)O)CC4=CC=C(C=C4)C5=CC=CC=C5C#N

InChI

InChI=1S/C29H22N2O3S/c1-3-21-14-24-27(32)25-17(2)8-13-23(29(33)34)26(25)31(28(24)35-21)16-18-9-11-19(12-10-18)22-7-5-4-6-20(22)15-30/h4-14H,3,16H2,1-2H3,(H,33,34)