[2-[2-cyanoethyl-(2-fluorophenyl)amino]-2-oxidanylidene-ethyl] 1-(4-fluorophenyl)-3-methyl-thieno[2,3-c]pyrazole-5-carboxylate

Systemtic Name: [2-[2-cyanoethyl-(2-fluorophenyl)amino]-2-oxidanylidene-ethyl] 1-(4-fluorophenyl)-3-methyl-thieno[2,3-c]pyrazole-5-carboxylate Openeye Name: [2-[N-(2-cyanoethyl)-2-fluoro-anilino]-2-oxo-ethyl] 1-(4-fluorophenyl)-3-methyl-thieno[2,3-c]pyrazole-5-carboxylate CAS Name: 1-(4-fluorophenyl)-3-methyl-5-thieno[2,3-c]pyrazolecarboxylic acid [2-[N-(2-cyanoethyl)-2-fluoroanilino]-2-oxoethyl] ester IUPAC Name: [2-[N-(2-cyanoethyl)-2-fluoroanilino]-2-oxoethyl] 1-(4-fluorophenyl)-3-methylthieno[2,3-c]pyrazole-5-carboxylate Traditional Name: 1-(4-fluorophenyl)-3-methyl-thieno[2,3-c]pyrazole-5-carboxylic acid [2-[N-(2-cyanoethyl)-2-fluoro-anilino]-2-keto-ethyl] ester Formula: C24H18F2N4O3S MolecularWeight: 480.486526

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C2=C1C=C(S2)C(=O)OCC(=O)N(CCC#N)C3=CC=CC=C3F)C4=CC=C(C=C4)F

Isomeric SMILES

CC1=NN(C2=C1C=C(S2)C(=O)OCC(=O)N(CCC#N)C3=CC=CC=C3F)C4=CC=C(C=C4)F

InChI

InChI=1S/C24H18F2N4O3S/c1-15-18-13-21(34-23(18)30(28-15)17-9-7-16(25)8-10-17)24(32)33-14-22(31)29(12-4-11-27)20-6-3-2-5-19(20)26/h2-3,5-10,13H,4,12,14H2,1H3