2-[5-methyl-3-oxidanylidene-4-[4,5,7-tris(fluoranyl)-1,3-benzothiazol-2-yl]-1,4-benzothiazin-2-yl]ethanoic acid

Systemtic Name: 2-[5-methyl-3-oxidanylidene-4-[4,5,7-tris(fluoranyl)-1,3-benzothiazol-2-yl]-1,4-benzothiazin-2-yl]ethanoic acid Openeye Name: 2-[5-methyl-3-oxo-4-(4,5,7-trifluoro-1,3-benzothiazol-2-yl)-1,4-benzothiazin-2-yl]acetic acid CAS Name: 2-[5-methyl-3-oxo-4-(4,5,7-trifluoro-1,3-benzothiazol-2-yl)-1,4-benzothiazin-2-yl]acetic acid IUPAC Name: 2-[5-methyl-3-oxo-4-(4,5,7-trifluoro-1,3-benzothiazol-2-yl)-1,4-benzothiazin-2-yl]acetic acid Traditional Name: 2-[3-keto-5-methyl-4-(4,5,7-trifluoro-1,3-benzothiazol-2-yl)-1,4-benzothiazin-2-yl]acetic acid Formula: C18H11F3N2O3S2 MolecularWeight: 424.41675

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C2C(=CC=C1)SC(C(=O)N2C3=NC4=C(C(=CC(=C4S3)F)F)F)CC(=O)O

Isomeric SMILES

CC1=C2C(=CC=C1)SC(C(=O)N2C3=NC4=C(C(=CC(=C4S3)F)F)F)CC(=O)O

InChI

InChI=1S/C18H11F3N2O3S2/c1-7-3-2-4-10-15(7)23(17(26)11(27-10)6-12(24)25)18-22-14-13(21)8(19)5-9(20)16(14)28-18/h2-5,11H,6H2,1H3,(H,24,25)