ethyl 3-azanyl-5-[[3-(trifluoromethyl)phenyl]amino]-1,2-thiazole-4-carboxylate

Systemtic Name: ethyl 3-azanyl-5-[[3-(trifluoromethyl)phenyl]amino]-1,2-thiazole-4-carboxylate Openeye Name: ethyl 3-amino-5-[3-(trifluoromethyl)anilino]isothiazole-4-carboxylate CAS Name: 3-amino-5-[3-(trifluoromethyl)anilino]-4-isothiazolecarboxylic acid ethyl ester IUPAC Name: ethyl 3-amino-5-[3-(trifluoromethyl)anilino]-1,2-thiazole-4-carboxylate Traditional Name: 3-amino-5-[3-(trifluoromethyl)anilino]isothiazole-4-carboxylic acid ethyl ester Formula: C13H12F3N3O2S MolecularWeight: 331.31349

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(SN=C1N)NC2=CC=CC(=C2)C(F)(F)F

Isomeric SMILES

CCOC(=O)C1=C(SN=C1N)NC2=CC=CC(=C2)C(F)(F)F

InChI

InChI=1S/C13H12F3N3O2S/c1-2-21-12(20)9-10(17)19-22-11(9)18-8-5-3-4-7(6-8)13(14,15)16/h3-6,18H,2H2,1H3,(H2,17,19)