1-(1,3-benzothiazol-2-yl)ethyl 3-aminocarbonyl-2-(4-fluorophenyl)-3,4-dihydropyrazole-5-carboxylate

Systemtic Name: 1-(1,3-benzothiazol-2-yl)ethyl 3-aminocarbonyl-2-(4-fluorophenyl)-3,4-dihydropyrazole-5-carboxylate Openeye Name: 1-(1,3-benzothiazol-2-yl)ethyl 3-carbamoyl-2-(4-fluorophenyl)-3,4-dihydropyrazole-5-carboxylate CAS Name: 3-carbamoyl-2-(4-fluorophenyl)-3,4-dihydropyrazole-5-carboxylic acid 1-(1,3-benzothiazol-2-yl)ethyl ester IUPAC Name: 1-(1,3-benzothiazol-2-yl)ethyl 3-carbamoyl-2-(4-fluorophenyl)-3,4-dihydropyrazole-5-carboxylate Traditional Name: 5-carbamoyl-1-(4-fluorophenyl)-2-pyrazoline-3-carboxylic acid 1-(1,3-benzothiazol-2-yl)ethyl ester Formula: C20H17FN4O3S MolecularWeight: 412.437383

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=NC2=CC=CC=C2S1)OC(=O)C3=NN(C(C3)C(=O)N)C4=CC=C(C=C4)F

Isomeric SMILES

CC(C1=NC2=CC=CC=C2S1)OC(=O)C3=NN(C(C3)C(=O)N)C4=CC=C(C=C4)F

InChI

InChI=1S/C20H17FN4O3S/c1-11(19-23-14-4-2-3-5-17(14)29-19)28-20(27)15-10-16(18(22)26)25(24-15)13-8-6-12(21)7-9-13/h2-9,11,16H,10H2,1H3,(H2,22,26)