[2-[(3S,5S)-3,5-dimethylpiperidin-1-yl]-2-oxidanylidene-ethyl] 1-phenyl-3-thiophen-2-yl-pyrazole-4-carboxylate

Systemtic Name: [2-[(3S,5S)-3,5-dimethylpiperidin-1-yl]-2-oxidanylidene-ethyl] 1-phenyl-3-thiophen-2-yl-pyrazole-4-carboxylate Openeye Name: [2-[(3S,5S)-3,5-dimethyl-1-piperidyl]-2-oxo-ethyl] 1-phenyl-3-(2-thienyl)pyrazole-4-carboxylate CAS Name: 1-phenyl-3-thiophen-2-yl-4-pyrazolecarboxylic acid [2-[(3S,5S)-3,5-dimethyl-1-piperidinyl]-2-oxoethyl] ester IUPAC Name: [2-[(3S,5S)-3,5-dimethylpiperidin-1-yl]-2-oxoethyl] 1-phenyl-3-thiophen-2-ylpyrazole-4-carboxylate Traditional Name: 1-phenyl-3-(2-thienyl)pyrazole-4-carboxylic acid [2-[(3S,5S)-3,5-dimethylpiperidino]-2-keto-ethyl] ester Formula: C23H25N3O3S MolecularWeight: 423.5279

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Descriptors Computed from Structure

Canonical SMILES:

CC1CC(CN(C1)C(=O)COC(=O)C2=CN(N=C2C3=CC=CS3)C4=CC=CC=C4)C

Isomeric SMILES

C[C@H]1C[C@@H](CN(C1)C(=O)COC(=O)C2=CN(N=C2C3=CC=CS3)C4=CC=CC=C4)C

InChI

InChI=1S/C23H25N3O3S/c1-16-11-17(2)13-25(12-16)21(27)15-29-23(28)19-14-26(18-7-4-3-5-8-18)24-22(19)20-9-6-10-30-20/h3-10,14,16-17H,11-13,15H2,1-2H3/t16-,17-/m0/s1