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

Systemtic Name: 4-[3-(2-chloranyl-7-methoxy-quinolin-3-yl)-5-thiophen-2-yl-3,4-dihydropyrazol-2-yl]-4-oxidanylidene-butanoic acid Openeye Name: 4-[3-(2-chloro-7-methoxy-3-quinolyl)-5-(2-thienyl)-3,4-dihydropyrazol-2-yl]-4-oxo-butanoic acid CAS Name: 4-[3-(2-chloro-7-methoxy-3-quinolinyl)-5-thiophen-2-yl-3,4-dihydropyrazol-2-yl]-4-oxobutanoic acid IUPAC Name: 4-[3-(2-chloro-7-methoxyquinolin-3-yl)-5-thiophen-2-yl-3,4-dihydropyrazol-2-yl]-4-oxobutanoic acid Traditional Name: 4-[5-(2-chloro-7-methoxy-3-quinolyl)-3-(2-thienyl)-2-pyrazolin-1-yl]-4-keto-butyric acid Formula: C21H18ClN3O4S MolecularWeight: 443.90332

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC2=NC(=C(C=C2C=C1)C3CC(=NN3C(=O)CCC(=O)O)C4=CC=CS4)Cl

Isomeric SMILES

COC1=CC2=NC(=C(C=C2C=C1)C3CC(=NN3C(=O)CCC(=O)O)C4=CC=CS4)Cl

InChI

InChI=1S/C21H18ClN3O4S/c1-29-13-5-4-12-9-14(21(22)23-15(12)10-13)17-11-16(18-3-2-8-30-18)24-25(17)19(26)6-7-20(27)28/h2-5,8-10,17H,6-7,11H2,1H3,(H,27,28)