methyl 4-(1,3-benzothiazol-2-ylamino)-2-oxidanyl-4-oxidanylidene-2-(trifluoromethyl)butanoate

Systemtic Name: methyl 4-(1,3-benzothiazol-2-ylamino)-2-oxidanyl-4-oxidanylidene-2-(trifluoromethyl)butanoate Openeye Name: methyl 4-(1,3-benzothiazol-2-ylamino)-2-hydroxy-4-oxo-2-(trifluoromethyl)butanoate CAS Name: 4-(1,3-benzothiazol-2-ylamino)-2-hydroxy-4-oxo-2-(trifluoromethyl)butanoic acid methyl ester IUPAC Name: methyl 4-(1,3-benzothiazol-2-ylamino)-2-hydroxy-4-oxo-2-(trifluoromethyl)butanoate Traditional Name: 4-(1,3-benzothiazol-2-ylamino)-2-hydroxy-4-keto-2-(trifluoromethyl)butyric acid methyl ester Formula: C13H11F3N2O4S MolecularWeight: 348.29765

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C(CC(=O)NC1=NC2=CC=CC=C2S1)(C(F)(F)F)O

Isomeric SMILES

COC(=O)C(CC(=O)NC1=NC2=CC=CC=C2S1)(C(F)(F)F)O

InChI

InChI=1S/C13H11F3N2O4S/c1-22-10(20)12(21,13(14,15)16)6-9(19)18-11-17-7-4-2-3-5-8(7)23-11/h2-5,21H,6H2,1H3,(H,17,18,19)