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

Systemtic Name: methyl 4-azanyl-3-[3-(trifluoromethyl)phenyl]-1,2-thiazole-5-carboxylate Openeye Name: methyl 4-amino-3-[3-(trifluoromethyl)phenyl]isothiazole-5-carboxylate CAS Name: 4-amino-3-[3-(trifluoromethyl)phenyl]-5-isothiazolecarboxylic acid methyl ester IUPAC Name: methyl 4-amino-3-[3-(trifluoromethyl)phenyl]-1,2-thiazole-5-carboxylate Traditional Name: 4-amino-3-[3-(trifluoromethyl)phenyl]isothiazole-5-carboxylic acid methyl ester Formula: C12H9F3N2O2S MolecularWeight: 302.27227

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=C(C(=NS1)C2=CC(=CC=C2)C(F)(F)F)N

Isomeric SMILES

COC(=O)C1=C(C(=NS1)C2=CC(=CC=C2)C(F)(F)F)N

InChI

InChI=1S/C12H9F3N2O2S/c1-19-11(18)10-8(16)9(17-20-10)6-3-2-4-7(5-6)12(13,14)15/h2-5H,16H2,1H3