[2-(3-methylpiperidin-1-yl)-2-oxidanylidene-ethyl] 3-methyl-1-phenyl-thieno[2,3-c]pyrazole-5-carboxylate

Systemtic Name: [2-(3-methylpiperidin-1-yl)-2-oxidanylidene-ethyl] 3-methyl-1-phenyl-thieno[2,3-c]pyrazole-5-carboxylate Openeye Name: [2-(3-methyl-1-piperidyl)-2-oxo-ethyl] 3-methyl-1-phenyl-thieno[2,3-c]pyrazole-5-carboxylate CAS Name: 3-methyl-1-phenyl-5-thieno[2,3-c]pyrazolecarboxylic acid [2-(3-methyl-1-piperidinyl)-2-oxoethyl] ester IUPAC Name: [2-(3-methylpiperidin-1-yl)-2-oxoethyl] 3-methyl-1-phenylthieno[2,3-c]pyrazole-5-carboxylate Traditional Name: 3-methyl-1-phenyl-thieno[2,3-c]pyrazole-5-carboxylic acid [2-keto-2-(3-methylpiperidino)ethyl] ester Formula: C21H23N3O3S MolecularWeight: 397.49062

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCCN(C1)C(=O)COC(=O)C2=CC3=C(S2)N(N=C3C)C4=CC=CC=C4

Isomeric SMILES

CC1CCCN(C1)C(=O)COC(=O)C2=CC3=C(S2)N(N=C3C)C4=CC=CC=C4

InChI

InChI=1S/C21H23N3O3S/c1-14-7-6-10-23(12-14)19(25)13-27-21(26)18-11-17-15(2)22-24(20(17)28-18)16-8-4-3-5-9-16/h3-5,8-9,11,14H,6-7,10,12-13H2,1-2H3