4-[3-(2-chloranylquinolin-3-yl)-5-thiophen-2-yl-3,4-dihydropyrazol-2-yl]-4-oxidanylidene-butanoic acid

Systemtic Name: 4-[3-(2-chloranylquinolin-3-yl)-5-thiophen-2-yl-3,4-dihydropyrazol-2-yl]-4-oxidanylidene-butanoic acid Openeye Name: 4-[3-(2-chloro-3-quinolyl)-5-(2-thienyl)-3,4-dihydropyrazol-2-yl]-4-oxo-butanoic acid CAS Name: 4-[3-(2-chloro-3-quinolinyl)-5-thiophen-2-yl-3,4-dihydropyrazol-2-yl]-4-oxobutanoic acid IUPAC Name: 4-[3-(2-chloroquinolin-3-yl)-5-thiophen-2-yl-3,4-dihydropyrazol-2-yl]-4-oxobutanoic acid Traditional Name: 4-[5-(2-chloro-3-quinolyl)-3-(2-thienyl)-2-pyrazolin-1-yl]-4-keto-butyric acid Formula: C20H16ClN3O3S MolecularWeight: 413.87734

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Descriptors Computed from Structure

Canonical SMILES:

C1C(N(N=C1C2=CC=CS2)C(=O)CCC(=O)O)C3=CC4=CC=CC=C4N=C3Cl

Isomeric SMILES

C1C(N(N=C1C2=CC=CS2)C(=O)CCC(=O)O)C3=CC4=CC=CC=C4N=C3Cl

InChI

InChI=1S/C20H16ClN3O3S/c21-20-13(10-12-4-1-2-5-14(12)22-20)16-11-15(17-6-3-9-28-17)23-24(16)18(25)7-8-19(26)27/h1-6,9-10,16H,7-8,11H2,(H,26,27)