[2-(2,3-dihydro-1,4-benzothiazin-4-yl)-2-oxidanylidene-ethyl] 5-propan-2-yl-1-pyridin-2-yl-pyrazole-4-carboxylate

Systemtic Name: [2-(2,3-dihydro-1,4-benzothiazin-4-yl)-2-oxidanylidene-ethyl] 5-propan-2-yl-1-pyridin-2-yl-pyrazole-4-carboxylate Openeye Name: [2-(2,3-dihydro-1,4-benzothiazin-4-yl)-2-oxo-ethyl] 5-isopropyl-1-(2-pyridyl)pyrazole-4-carboxylate CAS Name: 5-propan-2-yl-1-(2-pyridinyl)-4-pyrazolecarboxylic acid [2-(2,3-dihydro-1,4-benzothiazin-4-yl)-2-oxoethyl] ester IUPAC Name: [2-(2,3-dihydro-1,4-benzothiazin-4-yl)-2-oxoethyl] 5-propan-2-yl-1-pyridin-2-ylpyrazole-4-carboxylate Traditional Name: 5-isopropyl-1-(2-pyridyl)pyrazole-4-carboxylic acid [2-(2,3-dihydro-1,4-benzothiazin-4-yl)-2-keto-ethyl] ester Formula: C22H22N4O3S MolecularWeight: 422.50008

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=C(C=NN1C2=CC=CC=N2)C(=O)OCC(=O)N3CCSC4=CC=CC=C43

Isomeric SMILES

CC(C)C1=C(C=NN1C2=CC=CC=N2)C(=O)OCC(=O)N3CCSC4=CC=CC=C43

InChI

InChI=1S/C22H22N4O3S/c1-15(2)21-16(13-24-26(21)19-9-5-6-10-23-19)22(28)29-14-20(27)25-11-12-30-18-8-4-3-7-17(18)25/h3-10,13,15H,11-12,14H2,1-2H3