ethyl 1-[1-(2-chlorophenyl)-3-methyl-thieno[2,3-c]pyrazol-5-yl]carbonylpiperidine-4-carboxylate

Systemtic Name: ethyl 1-[1-(2-chlorophenyl)-3-methyl-thieno[2,3-c]pyrazol-5-yl]carbonylpiperidine-4-carboxylate Openeye Name: ethyl 1-[1-(2-chlorophenyl)-3-methyl-thieno[2,3-c]pyrazole-5-carbonyl]piperidine-4-carboxylate CAS Name: 1-[[1-(2-chlorophenyl)-3-methyl-5-thieno[2,3-c]pyrazolyl]-oxomethyl]-4-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl 1-[1-(2-chlorophenyl)-3-methylthieno[2,3-c]pyrazole-5-carbonyl]piperidine-4-carboxylate Traditional Name: 1-[1-(2-chlorophenyl)-3-methyl-thieno[2,3-c]pyrazole-5-carbonyl]isonipecotic acid ethyl ester Formula: C21H22ClN3O3S MolecularWeight: 431.93568

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1CCN(CC1)C(=O)C2=CC3=C(S2)N(N=C3C)C4=CC=CC=C4Cl

Isomeric SMILES

CCOC(=O)C1CCN(CC1)C(=O)C2=CC3=C(S2)N(N=C3C)C4=CC=CC=C4Cl

InChI

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