[2-[3-(1,3-benzothiazol-2-yl)piperidin-1-yl]-2-oxidanylidene-ethyl] 1-phenylpyrazole-4-carboxylate

Systemtic Name: [2-[3-(1,3-benzothiazol-2-yl)piperidin-1-yl]-2-oxidanylidene-ethyl] 1-phenylpyrazole-4-carboxylate Openeye Name: [2-[3-(1,3-benzothiazol-2-yl)-1-piperidyl]-2-oxo-ethyl] 1-phenylpyrazole-4-carboxylate CAS Name: 1-phenyl-4-pyrazolecarboxylic acid [2-[3-(1,3-benzothiazol-2-yl)-1-piperidinyl]-2-oxoethyl] ester IUPAC Name: [2-[3-(1,3-benzothiazol-2-yl)piperidin-1-yl]-2-oxoethyl] 1-phenylpyrazole-4-carboxylate Traditional Name: 1-phenylpyrazole-4-carboxylic acid [2-[3-(1,3-benzothiazol-2-yl)piperidino]-2-keto-ethyl] ester Formula: C24H22N4O3S MolecularWeight: 446.52148

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CC(CN(C1)C(=O)COC(=O)C2=CN(N=C2)C3=CC=CC=C3)C4=NC5=CC=CC=C5S4

Isomeric SMILES

C1CC(CN(C1)C(=O)COC(=O)C2=CN(N=C2)C3=CC=CC=C3)C4=NC5=CC=CC=C5S4

InChI

InChI=1S/C24H22N4O3S/c29-22(16-31-24(30)18-13-25-28(15-18)19-8-2-1-3-9-19)27-12-6-7-17(14-27)23-26-20-10-4-5-11-21(20)32-23/h1-5,8-11,13,15,17H,6-7,12,14,16H2