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

Systemtic Name: [4-(trifluoromethyl)phenyl]methyl 3-methyl-5-(methylamino)-1,2-thiazole-4-carboxylate Openeye Name: [4-(trifluoromethyl)phenyl]methyl 3-methyl-5-(methylamino)isothiazole-4-carboxylate CAS Name: 3-methyl-5-(methylamino)-4-isothiazolecarboxylic acid [4-(trifluoromethyl)phenyl]methyl ester IUPAC Name: [4-(trifluoromethyl)phenyl]methyl 3-methyl-5-(methylamino)-1,2-thiazole-4-carboxylate Traditional Name: 3-methyl-5-(methylamino)isothiazole-4-carboxylic acid [4-(trifluoromethyl)benzyl] ester Formula: C14H13F3N2O2S MolecularWeight: 330.32543

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NSC(=C1C(=O)OCC2=CC=C(C=C2)C(F)(F)F)NC

Isomeric SMILES

CC1=NSC(=C1C(=O)OCC2=CC=C(C=C2)C(F)(F)F)NC

InChI

InChI=1S/C14H13F3N2O2S/c1-8-11(12(18-2)22-19-8)13(20)21-7-9-3-5-10(6-4-9)14(15,16)17/h3-6,18H,7H2,1-2H3