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

Systemtic Name: 5-[3-(2-chloranylquinolin-3-yl)-5-thiophen-2-yl-3,4-dihydropyrazol-2-yl]-5-oxidanylidene-pentanoic acid Openeye Name: 5-[3-(2-chloro-3-quinolyl)-5-(2-thienyl)-3,4-dihydropyrazol-2-yl]-5-oxo-pentanoic acid CAS Name: 5-[3-(2-chloro-3-quinolinyl)-5-thiophen-2-yl-3,4-dihydropyrazol-2-yl]-5-oxopentanoic acid IUPAC Name: 5-[3-(2-chloroquinolin-3-yl)-5-thiophen-2-yl-3,4-dihydropyrazol-2-yl]-5-oxopentanoic acid Traditional Name: 5-[5-(2-chloro-3-quinolyl)-3-(2-thienyl)-2-pyrazolin-1-yl]-5-keto-valeric acid Formula: C21H18ClN3O3S MolecularWeight: 427.90392

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H18ClN3O3S/c22-21-14(11-13-5-1-2-6-15(13)23-21)17-12-16(18-7-4-10-29-18)24-25(17)19(26)8-3-9-20(27)28/h1-2,4-7,10-11,17H,3,8-9,12H2,(H,27,28)