5-[3-(2-chloranyl-6-ethoxy-quinolin-3-yl)-5-thiophen-2-yl-3,4-dihydropyrazol-2-yl]-5-oxidanylidene-pentanoic acid

Systemtic Name: 5-[3-(2-chloranyl-6-ethoxy-quinolin-3-yl)-5-thiophen-2-yl-3,4-dihydropyrazol-2-yl]-5-oxidanylidene-pentanoic acid Openeye Name: 5-[3-(2-chloro-6-ethoxy-3-quinolyl)-5-(2-thienyl)-3,4-dihydropyrazol-2-yl]-5-oxo-pentanoic acid CAS Name: 5-[3-(2-chloro-6-ethoxy-3-quinolinyl)-5-thiophen-2-yl-3,4-dihydropyrazol-2-yl]-5-oxopentanoic acid IUPAC Name: 5-[3-(2-chloro-6-ethoxyquinolin-3-yl)-5-thiophen-2-yl-3,4-dihydropyrazol-2-yl]-5-oxopentanoic acid Traditional Name: 5-[5-(2-chloro-6-ethoxy-3-quinolyl)-3-(2-thienyl)-2-pyrazolin-1-yl]-5-keto-valeric acid Formula: C23H22ClN3O4S MolecularWeight: 471.95648

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC2=CC(=C(N=C2C=C1)Cl)C3CC(=NN3C(=O)CCCC(=O)O)C4=CC=CS4

Isomeric SMILES

CCOC1=CC2=CC(=C(N=C2C=C1)Cl)C3CC(=NN3C(=O)CCCC(=O)O)C4=CC=CS4

InChI

InChI=1S/C23H22ClN3O4S/c1-2-31-15-8-9-17-14(11-15)12-16(23(24)25-17)19-13-18(20-5-4-10-32-20)26-27(19)21(28)6-3-7-22(29)30/h4-5,8-12,19H,2-3,6-7,13H2,1H3,(H,29,30)