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

Systemtic Name: (4-azanylquinazolin-2-yl)methyl 2-[3-oxidanylidene-6-(trifluoromethyl)-4H-1,4-benzothiazin-2-yl]ethanoate Openeye Name: (4-aminoquinazolin-2-yl)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-amino-2-quinazolinyl)methyl ester IUPAC Name: (4-aminoquinazolin-2-yl)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-aminoquinazolin-2-yl)methyl ester Formula: C20H15F3N4O3S MolecularWeight: 448.41831

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=NC(=N2)COC(=O)CC3C(=O)NC4=C(S3)C=CC(=C4)C(F)(F)F)N

Isomeric SMILES

C1=CC=C2C(=C1)C(=NC(=N2)COC(=O)CC3C(=O)NC4=C(S3)C=CC(=C4)C(F)(F)F)N

InChI

InChI=1S/C20H15F3N4O3S/c21-20(22,23)10-5-6-14-13(7-10)26-19(29)15(31-14)8-17(28)30-9-16-25-12-4-2-1-3-11(12)18(24)27-16/h1-7,15H,8-9H2,(H,26,29)(H2,24,25,27)