4-[[6-(2,3-dihydro-1-benzothiophen-5-ylmethylcarbamoyl)-4-oxidanylidene-1H-quinolin-3-yl]methyl]benzoic acid

Systemtic Name: 4-[[6-(2,3-dihydro-1-benzothiophen-5-ylmethylcarbamoyl)-4-oxidanylidene-1H-quinolin-3-yl]methyl]benzoic acid Openeye Name: 4-[[6-(2,3-dihydrobenzothiophen-5-ylmethylcarbamoyl)-4-oxo-1H-quinolin-3-yl]methyl]benzoic acid CAS Name: 4-[[6-[(2,3-dihydro-1-benzothiophen-5-ylmethylamino)-oxomethyl]-4-oxo-1H-quinolin-3-yl]methyl]benzoic acid IUPAC Name: 4-[[6-(2,3-dihydro-1-benzothiophen-5-ylmethylcarbamoyl)-4-oxo-1H-quinolin-3-yl]methyl]benzoic acid Traditional Name: 4-[[6-(2,3-dihydrobenzothiophen-5-ylmethylcarbamoyl)-4-keto-1H-quinolin-3-yl]methyl]benzoic acid Formula: C27H22N2O4S MolecularWeight: 470.53958

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Descriptors Computed from Structure

Canonical SMILES:

C1CSC2=C1C=C(C=C2)CNC(=O)C3=CC4=C(C=C3)NC=C(C4=O)CC5=CC=C(C=C5)C(=O)O

Isomeric SMILES

C1CSC2=C1C=C(C=C2)CNC(=O)C3=CC4=C(C=C3)NC=C(C4=O)CC5=CC=C(C=C5)C(=O)O

InChI

InChI=1S/C27H22N2O4S/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/h1-8,12-13,15H,9-11,14H2,(H,28,30)(H,29,31)(H,32,33)