4-[3-(2-chloranyl-7-ethoxy-quinolin-3-yl)-5-thiophen-2-yl-3,4-dihydropyrazol-2-yl]-4-oxidanylidene-butanoic acid

Systemtic Name: 4-[3-(2-chloranyl-7-ethoxy-quinolin-3-yl)-5-thiophen-2-yl-3,4-dihydropyrazol-2-yl]-4-oxidanylidene-butanoic acid Openeye Name: 4-[3-(2-chloro-7-ethoxy-3-quinolyl)-5-(2-thienyl)-3,4-dihydropyrazol-2-yl]-4-oxo-butanoic acid CAS Name: 4-[3-(2-chloro-7-ethoxy-3-quinolinyl)-5-thiophen-2-yl-3,4-dihydropyrazol-2-yl]-4-oxobutanoic acid IUPAC Name: 4-[3-(2-chloro-7-ethoxyquinolin-3-yl)-5-thiophen-2-yl-3,4-dihydropyrazol-2-yl]-4-oxobutanoic acid Traditional Name: 4-[5-(2-chloro-7-ethoxy-3-quinolyl)-3-(2-thienyl)-2-pyrazolin-1-yl]-4-keto-butyric acid Formula: C22H20ClN3O4S MolecularWeight: 457.9299

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC2=NC(=C(C=C2C=C1)C3CC(=NN3C(=O)CCC(=O)O)C4=CC=CS4)Cl

Isomeric SMILES

CCOC1=CC2=NC(=C(C=C2C=C1)C3CC(=NN3C(=O)CCC(=O)O)C4=CC=CS4)Cl

InChI

InChI=1S/C22H20ClN3O4S/c1-2-30-14-6-5-13-10-15(22(23)24-16(13)11-14)18-12-17(19-4-3-9-31-19)25-26(18)20(27)7-8-21(28)29/h3-6,9-11,18H,2,7-8,12H2,1H3,(H,28,29)