(4-pyrazol-1-ylphenyl)methyl 2-[3-oxidanylidene-6-(trifluoromethyl)-4H-1,4-benzothiazin-2-yl]ethanoate

Systemtic Name: (4-pyrazol-1-ylphenyl)methyl 2-[3-oxidanylidene-6-(trifluoromethyl)-4H-1,4-benzothiazin-2-yl]ethanoate Openeye Name: (4-pyrazol-1-ylphenyl)methyl 2-[3-oxo-6-(trifluoromethyl)-4H-1,4-benzothiazin-2-yl]acetate CAS Name: 2-[3-oxo-6-(trifluoromethyl)-4H-1,4-benzothiazin-2-yl]acetic acid [4-(1-pyrazolyl)phenyl]methyl ester IUPAC Name: (4-pyrazol-1-ylphenyl)methyl 2-[3-oxo-6-(trifluoromethyl)-4H-1,4-benzothiazin-2-yl]acetate Traditional Name: 2-[3-keto-6-(trifluoromethyl)-4H-1,4-benzothiazin-2-yl]acetic acid (4-pyrazol-1-ylbenzyl) ester Formula: C21H16F3N3O3S MolecularWeight: 447.43025

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Descriptors Computed from Structure

Canonical SMILES:

C1=CN(N=C1)C2=CC=C(C=C2)COC(=O)CC3C(=O)NC4=C(S3)C=CC(=C4)C(F)(F)F

Isomeric SMILES

C1=CN(N=C1)C2=CC=C(C=C2)COC(=O)CC3C(=O)NC4=C(S3)C=CC(=C4)C(F)(F)F

InChI

InChI=1S/C21H16F3N3O3S/c22-21(23,24)14-4-7-17-16(10-14)26-20(29)18(31-17)11-19(28)30-12-13-2-5-15(6-3-13)27-9-1-8-25-27/h1-10,18H,11-12H2,(H,26,29)