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

Systemtic Name: ethyl 1-[1-(3-chlorophenyl)-3-methyl-thieno[2,3-c]pyrazol-5-yl]carbonylpiperidine-3-carboxylate Openeye Name: ethyl 1-[1-(3-chlorophenyl)-3-methyl-thieno[2,3-c]pyrazole-5-carbonyl]piperidine-3-carboxylate CAS Name: 1-[[1-(3-chlorophenyl)-3-methyl-5-thieno[2,3-c]pyrazolyl]-oxomethyl]-3-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl 1-[1-(3-chlorophenyl)-3-methylthieno[2,3-c]pyrazole-5-carbonyl]piperidine-3-carboxylate Traditional Name: 1-[1-(3-chlorophenyl)-3-methyl-thieno[2,3-c]pyrazole-5-carbonyl]nipecotic acid ethyl ester Formula: C21H22ClN3O3S MolecularWeight: 431.93568

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1CCCN(C1)C(=O)C2=CC3=C(S2)N(N=C3C)C4=CC(=CC=C4)Cl

Isomeric SMILES

CCOC(=O)C1CCCN(C1)C(=O)C2=CC3=C(S2)N(N=C3C)C4=CC(=CC=C4)Cl

InChI

InChI=1S/C21H22ClN3O3S/c1-3-28-21(27)14-6-5-9-24(12-14)19(26)18-11-17-13(2)23-25(20(17)29-18)16-8-4-7-15(22)10-16/h4,7-8,10-11,14H,3,5-6,9,12H2,1-2H3