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

Systemtic Name: [2-[(2-methoxyphenyl)amino]-2-oxidanylidene-ethyl] 1-(4-fluorophenyl)-3-methyl-thieno[2,3-c]pyrazole-5-carboxylate Openeye Name: [2-(2-methoxyanilino)-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-(2-methoxyanilino)-2-oxoethyl] ester IUPAC Name: [2-(2-methoxyanilino)-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-keto-2-(o-anisidino)ethyl] ester Formula: C22H18FN3O4S MolecularWeight: 439.459423

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C2=C1C=C(S2)C(=O)OCC(=O)NC3=CC=CC=C3OC)C4=CC=C(C=C4)F

Isomeric SMILES

CC1=NN(C2=C1C=C(S2)C(=O)OCC(=O)NC3=CC=CC=C3OC)C4=CC=C(C=C4)F

InChI

InChI=1S/C22H18FN3O4S/c1-13-16-11-19(31-21(16)26(25-13)15-9-7-14(23)8-10-15)22(28)30-12-20(27)24-17-5-3-4-6-18(17)29-2/h3-11H,12H2,1-2H3,(H,24,27)