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

Systemtic Name: ethyl (3S)-1-[3-methyl-1-(phenylmethyl)thieno[2,3-c]pyrazol-5-yl]carbonylpiperidine-3-carboxylate Openeye Name: ethyl (3S)-1-(1-benzyl-3-methyl-thieno[2,3-c]pyrazole-5-carbonyl)piperidine-3-carboxylate CAS Name: (3S)-1-[[3-methyl-1-(phenylmethyl)-5-thieno[2,3-c]pyrazolyl]-oxomethyl]-3-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl (3S)-1-(1-benzyl-3-methylthieno[2,3-c]pyrazole-5-carbonyl)piperidine-3-carboxylate Traditional Name: (3S)-1-(1-benzyl-3-methyl-thieno[2,3-c]pyrazole-5-carbonyl)nipecotic acid ethyl ester Formula: C22H25N3O3S MolecularWeight: 411.5172

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1CCCN(C1)C(=O)C2=CC3=C(S2)N(N=C3C)CC4=CC=CC=C4

Isomeric SMILES

CCOC(=O)[C@H]1CCCN(C1)C(=O)C2=CC3=C(S2)N(N=C3C)CC4=CC=CC=C4

InChI

InChI=1S/C22H25N3O3S/c1-3-28-22(27)17-10-7-11-24(14-17)20(26)19-12-18-15(2)23-25(21(18)29-19)13-16-8-5-4-6-9-16/h4-6,8-9,12,17H,3,7,10-11,13-14H2,1-2H3/t17-/m0/s1