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

Systemtic Name: ethyl 4-azanyl-3-[[3-(trifluoromethyl)phenyl]carbamoyl]-1,2-thiazole-5-carboxylate Openeye Name: ethyl 4-amino-3-[[3-(trifluoromethyl)phenyl]carbamoyl]isothiazole-5-carboxylate CAS Name: 4-amino-3-[oxo-[3-(trifluoromethyl)anilino]methyl]-5-isothiazolecarboxylic acid ethyl ester IUPAC Name: ethyl 4-amino-3-[[3-(trifluoromethyl)phenyl]carbamoyl]-1,2-thiazole-5-carboxylate Traditional Name: 4-amino-3-[[3-(trifluoromethyl)phenyl]carbamoyl]isothiazole-5-carboxylic acid ethyl ester Formula: C14H12F3N3O3S MolecularWeight: 359.32359

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(C(=NS1)C(=O)NC2=CC=CC(=C2)C(F)(F)F)N

Isomeric SMILES

CCOC(=O)C1=C(C(=NS1)C(=O)NC2=CC=CC(=C2)C(F)(F)F)N

InChI

InChI=1S/C14H12F3N3O3S/c1-2-23-13(22)11-9(18)10(20-24-11)12(21)19-8-5-3-4-7(6-8)14(15,16)17/h3-6H,2,18H2,1H3,(H,19,21)