[2-[3-(1,3-benzothiazol-2-yl)piperidin-1-yl]-2-oxidanylidene-ethyl] 3-(4-methylphenyl)-1H-pyrazole-5-carboxylate

Systemtic Name: [2-[3-(1,3-benzothiazol-2-yl)piperidin-1-yl]-2-oxidanylidene-ethyl] 3-(4-methylphenyl)-1H-pyrazole-5-carboxylate Openeye Name: [2-[3-(1,3-benzothiazol-2-yl)-1-piperidyl]-2-oxo-ethyl] 3-(p-tolyl)-1H-pyrazole-5-carboxylate CAS Name: 3-(4-methylphenyl)-1H-pyrazole-5-carboxylic 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] 3-(4-methylphenyl)-1H-pyrazole-5-carboxylate Traditional Name: 3-(p-tolyl)-1H-pyrazole-5-carboxylic acid [2-[3-(1,3-benzothiazol-2-yl)piperidino]-2-keto-ethyl] ester Formula: C25H24N4O3S MolecularWeight: 460.54806

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C2=NNC(=C2)C(=O)OCC(=O)N3CCCC(C3)C4=NC5=CC=CC=C5S4

Isomeric SMILES

CC1=CC=C(C=C1)C2=NNC(=C2)C(=O)OCC(=O)N3CCCC(C3)C4=NC5=CC=CC=C5S4

InChI

InChI=1S/C25H24N4O3S/c1-16-8-10-17(11-9-16)20-13-21(28-27-20)25(31)32-15-23(30)29-12-4-5-18(14-29)24-26-19-6-2-3-7-22(19)33-24/h2-3,6-11,13,18H,4-5,12,14-15H2,1H3,(H,27,28)