1,3-benzothiazol-2-ylmethyl 2-[3-oxidanylidene-6-(trifluoromethyl)-4H-1,4-benzothiazin-2-yl]ethanoate

Systemtic Name: 1,3-benzothiazol-2-ylmethyl 2-[3-oxidanylidene-6-(trifluoromethyl)-4H-1,4-benzothiazin-2-yl]ethanoate Openeye Name: 1,3-benzothiazol-2-ylmethyl 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 1,3-benzothiazol-2-ylmethyl ester IUPAC Name: 1,3-benzothiazol-2-ylmethyl 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 1,3-benzothiazol-2-ylmethyl ester Formula: C19H13F3N2O3S2 MolecularWeight: 438.44333

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)N=C(S2)COC(=O)CC3C(=O)NC4=C(S3)C=CC(=C4)C(F)(F)F

Isomeric SMILES

C1=CC=C2C(=C1)N=C(S2)COC(=O)CC3C(=O)NC4=C(S3)C=CC(=C4)C(F)(F)F

InChI

InChI=1S/C19H13F3N2O3S2/c20-19(21,22)10-5-6-14-12(7-10)24-18(26)15(28-14)8-17(25)27-9-16-23-11-3-1-2-4-13(11)29-16/h1-7,15H,8-9H2,(H,24,26)