2-phenoxyethyl 1-(4-fluorophenyl)-3-methyl-thieno[2,3-c]pyrazole-5-carboxylate

Systemtic Name: 2-phenoxyethyl 1-(4-fluorophenyl)-3-methyl-thieno[2,3-c]pyrazole-5-carboxylate Openeye Name: 2-phenoxyethyl 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-phenoxyethyl ester IUPAC Name: 2-phenoxyethyl 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-phenoxyethyl ester Formula: C21H17FN2O3S MolecularWeight: 396.434683

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C2=C1C=C(S2)C(=O)OCCOC3=CC=CC=C3)C4=CC=C(C=C4)F

Isomeric SMILES

CC1=NN(C2=C1C=C(S2)C(=O)OCCOC3=CC=CC=C3)C4=CC=C(C=C4)F

InChI

InChI=1S/C21H17FN2O3S/c1-14-18-13-19(21(25)27-12-11-26-17-5-3-2-4-6-17)28-20(18)24(23-14)16-9-7-15(22)8-10-16/h2-10,13H,11-12H2,1H3