4-[[6-(1-benzothiophen-5-ylmethylcarbamoyl)-4-oxidanylidene-1H-quinolin-3-yl]methyl]benzoic acid

Systemtic Name: 4-[[6-(1-benzothiophen-5-ylmethylcarbamoyl)-4-oxidanylidene-1H-quinolin-3-yl]methyl]benzoic acid Openeye Name: 4-[[6-(benzothiophen-5-ylmethylcarbamoyl)-4-oxo-1H-quinolin-3-yl]methyl]benzoic acid CAS Name: 4-[[6-[(1-benzothiophen-5-ylmethylamino)-oxomethyl]-4-oxo-1H-quinolin-3-yl]methyl]benzoic acid IUPAC Name: 4-[[6-(1-benzothiophen-5-ylmethylcarbamoyl)-4-oxo-1H-quinolin-3-yl]methyl]benzoic acid Traditional Name: 4-[[6-(benzothiophen-5-ylmethylcarbamoyl)-4-keto-1H-quinolin-3-yl]methyl]benzoic acid Formula: C27H20N2O4S MolecularWeight: 468.5237

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1CC2=CNC3=C(C2=O)C=C(C=C3)C(=O)NCC4=CC5=C(C=C4)SC=C5)C(=O)O

Isomeric SMILES

C1=CC(=CC=C1CC2=CNC3=C(C2=O)C=C(C=C3)C(=O)NCC4=CC5=C(C=C4)SC=C5)C(=O)O

InChI

InChI=1S/C27H20N2O4S/c30-25-21(11-16-1-4-18(5-2-16)27(32)33)15-28-23-7-6-20(13-22(23)25)26(31)29-14-17-3-8-24-19(12-17)9-10-34-24/h1-10,12-13,15H,11,14H2,(H,28,30)(H,29,31)(H,32,33)