3-[2-[3-oxidanylidene-6-(trifluoromethyl)-4H-1,4-benzothiazin-2-yl]ethanoylamino]benzoic acid

Systemtic Name: 3-[2-[3-oxidanylidene-6-(trifluoromethyl)-4H-1,4-benzothiazin-2-yl]ethanoylamino]benzoic acid Openeye Name: 3-[[2-[3-oxo-6-(trifluoromethyl)-4H-1,4-benzothiazin-2-yl]acetyl]amino]benzoic acid CAS Name: 3-[[1-oxo-2-[3-oxo-6-(trifluoromethyl)-4H-1,4-benzothiazin-2-yl]ethyl]amino]benzoic acid IUPAC Name: 3-[[2-[3-oxo-6-(trifluoromethyl)-4H-1,4-benzothiazin-2-yl]acetyl]amino]benzoic acid Traditional Name: 3-[[2-[3-keto-6-(trifluoromethyl)-4H-1,4-benzothiazin-2-yl]acetyl]amino]benzoic acid Formula: C18H13F3N2O4S MolecularWeight: 410.36703

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC(=C1)NC(=O)CC2C(=O)NC3=C(S2)C=CC(=C3)C(F)(F)F)C(=O)O

Isomeric SMILES

C1=CC(=CC(=C1)NC(=O)CC2C(=O)NC3=C(S2)C=CC(=C3)C(F)(F)F)C(=O)O

InChI

InChI=1S/C18H13F3N2O4S/c19-18(20,21)10-4-5-13-12(7-10)23-16(25)14(28-13)8-15(24)22-11-3-1-2-9(6-11)17(26)27/h1-7,14H,8H2,(H,22,24)(H,23,25)(H,26,27)