ethyl 1-[3-(2-fluorophenyl)-1-methyl-thieno[2,3-c]pyrazol-5-yl]carbonylpiperidine-3-carboxylate

Systemtic Name: ethyl 1-[3-(2-fluorophenyl)-1-methyl-thieno[2,3-c]pyrazol-5-yl]carbonylpiperidine-3-carboxylate Openeye Name: ethyl 1-[3-(2-fluorophenyl)-1-methyl-thieno[2,3-c]pyrazole-5-carbonyl]piperidine-3-carboxylate CAS Name: 1-[[3-(2-fluorophenyl)-1-methyl-5-thieno[2,3-c]pyrazolyl]-oxomethyl]-3-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl 1-[3-(2-fluorophenyl)-1-methylthieno[2,3-c]pyrazole-5-carbonyl]piperidine-3-carboxylate Traditional Name: 1-[3-(2-fluorophenyl)-1-methyl-thieno[2,3-c]pyrazole-5-carbonyl]nipecotic acid ethyl ester Formula: C21H22FN3O3S MolecularWeight: 415.481083

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1CCCN(C1)C(=O)C2=CC3=C(S2)N(N=C3C4=CC=CC=C4F)C

Isomeric SMILES

CCOC(=O)C1CCCN(C1)C(=O)C2=CC3=C(S2)N(N=C3C4=CC=CC=C4F)C

InChI

InChI=1S/C21H22FN3O3S/c1-3-28-21(27)13-7-6-10-25(12-13)19(26)17-11-15-18(23-24(2)20(15)29-17)14-8-4-5-9-16(14)22/h4-5,8-9,11,13H,3,6-7,10,12H2,1-2H3