methyl 3-[(4-cyano-3-oxidanylidene-1,2-thiazol-5-yl)amino]-5-(trifluoromethyl)benzoate

Systemtic Name: methyl 3-[(4-cyano-3-oxidanylidene-1,2-thiazol-5-yl)amino]-5-(trifluoromethyl)benzoate Openeye Name: methyl 3-[(4-cyano-3-oxo-isothiazol-5-yl)amino]-5-(trifluoromethyl)benzoate CAS Name: 3-[(4-cyano-3-oxo-5-isothiazolyl)amino]-5-(trifluoromethyl)benzoic acid methyl ester IUPAC Name: methyl 3-[(4-cyano-3-oxo-1,2-thiazol-5-yl)amino]-5-(trifluoromethyl)benzoate Traditional Name: 3-[(4-cyano-3-keto-4-isothiazolin-5-yl)amino]-5-(trifluoromethyl)benzoic acid methyl ester Formula: C13H8F3N3O3S MolecularWeight: 343.28113

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC(=CC(=C1)NC2=C(C(=O)NS2)C#N)C(F)(F)F

Isomeric SMILES

COC(=O)C1=CC(=CC(=C1)NC2=C(C(=O)NS2)C#N)C(F)(F)F

InChI

InChI=1S/C13H8F3N3O3S/c1-22-12(21)6-2-7(13(14,15)16)4-8(3-6)18-11-9(5-17)10(20)19-23-11/h2-4,18H,1H3,(H,19,20)