[2-[(3,5-dimethyl-1-phenyl-pyrazol-4-yl)amino]-2-oxidanylidene-ethyl] 1-(1,3-benzothiazol-2-yl)piperidine-3-carboxylate

Systemtic Name: [2-[(3,5-dimethyl-1-phenyl-pyrazol-4-yl)amino]-2-oxidanylidene-ethyl] 1-(1,3-benzothiazol-2-yl)piperidine-3-carboxylate Openeye Name: [2-[(3,5-dimethyl-1-phenyl-pyrazol-4-yl)amino]-2-oxo-ethyl] 1-(1,3-benzothiazol-2-yl)piperidine-3-carboxylate CAS Name: 1-(1,3-benzothiazol-2-yl)-3-piperidinecarboxylic acid [2-[(3,5-dimethyl-1-phenyl-4-pyrazolyl)amino]-2-oxoethyl] ester IUPAC Name: [2-[(3,5-dimethyl-1-phenylpyrazol-4-yl)amino]-2-oxoethyl] 1-(1,3-benzothiazol-2-yl)piperidine-3-carboxylate Traditional Name: 1-(1,3-benzothiazol-2-yl)nipecotic acid [2-[(3,5-dimethyl-1-phenyl-pyrazol-4-yl)amino]-2-keto-ethyl] ester Formula: C26H27N5O3S MolecularWeight: 489.58928

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NN1C2=CC=CC=C2)C)NC(=O)COC(=O)C3CCCN(C3)C4=NC5=CC=CC=C5S4

Isomeric SMILES

CC1=C(C(=NN1C2=CC=CC=C2)C)NC(=O)COC(=O)C3CCCN(C3)C4=NC5=CC=CC=C5S4

InChI

InChI=1S/C26H27N5O3S/c1-17-24(18(2)31(29-17)20-10-4-3-5-11-20)28-23(32)16-34-25(33)19-9-8-14-30(15-19)26-27-21-12-6-7-13-22(21)35-26/h3-7,10-13,19H,8-9,14-16H2,1-2H3,(H,28,32)