[2-(1,3-benzothiazol-2-ylamino)-2-oxidanylidene-ethyl] 1-phenyl-3-pyridin-3-yl-pyrazole-4-carboxylate

Systemtic Name: [2-(1,3-benzothiazol-2-ylamino)-2-oxidanylidene-ethyl] 1-phenyl-3-pyridin-3-yl-pyrazole-4-carboxylate Openeye Name: [2-(1,3-benzothiazol-2-ylamino)-2-oxo-ethyl] 1-phenyl-3-(3-pyridyl)pyrazole-4-carboxylate CAS Name: 1-phenyl-3-(3-pyridinyl)-4-pyrazolecarboxylic acid [2-(1,3-benzothiazol-2-ylamino)-2-oxoethyl] ester IUPAC Name: [2-(1,3-benzothiazol-2-ylamino)-2-oxoethyl] 1-phenyl-3-pyridin-3-ylpyrazole-4-carboxylate Traditional Name: 1-phenyl-3-(3-pyridyl)pyrazole-4-carboxylic acid [2-(1,3-benzothiazol-2-ylamino)-2-keto-ethyl] ester Formula: C24H17N5O3S MolecularWeight: 455.48848

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)N2C=C(C(=N2)C3=CN=CC=C3)C(=O)OCC(=O)NC4=NC5=CC=CC=C5S4

Isomeric SMILES

C1=CC=C(C=C1)N2C=C(C(=N2)C3=CN=CC=C3)C(=O)OCC(=O)NC4=NC5=CC=CC=C5S4

InChI

InChI=1S/C24H17N5O3S/c30-21(27-24-26-19-10-4-5-11-20(19)33-24)15-32-23(31)18-14-29(17-8-2-1-3-9-17)28-22(18)16-7-6-12-25-13-16/h1-14H,15H2,(H,26,27,30)