ethyl (3R,5R)-2-methyl-4-oxidanylidene-5-(1,3-thiazol-2-ylamino)-5-(trifluoromethyl)-3H-pyrrole-3-carboxylate

Systemtic Name: ethyl (3R,5R)-2-methyl-4-oxidanylidene-5-(1,3-thiazol-2-ylamino)-5-(trifluoromethyl)-3H-pyrrole-3-carboxylate Openeye Name: ethyl (3R,5R)-2-methyl-4-oxo-5-(thiazol-2-ylamino)-5-(trifluoromethyl)-3H-pyrrole-3-carboxylate CAS Name: (3R,5R)-2-methyl-4-oxo-5-(2-thiazolylamino)-5-(trifluoromethyl)-3H-pyrrole-3-carboxylic acid ethyl ester IUPAC Name: ethyl (3R,5R)-2-methyl-4-oxo-5-(1,3-thiazol-2-ylamino)-5-(trifluoromethyl)-3H-pyrrole-3-carboxylate Traditional Name: (3R,5R)-4-keto-2-methyl-5-(thiazol-2-ylamino)-5-(trifluoromethyl)-1-pyrroline-3-carboxylic acid ethyl ester Formula: C12H12F3N3O3S MolecularWeight: 335.30219

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1C(=NC(C1=O)(C(F)(F)F)NC2=NC=CS2)C

Isomeric SMILES

CCOC(=O)[C@@H]1C(=N[C@](C1=O)(C(F)(F)F)NC2=NC=CS2)C

InChI

InChI=1S/C12H12F3N3O3S/c1-3-21-9(20)7-6(2)17-11(8(7)19,12(13,14)15)18-10-16-4-5-22-10/h4-5,7H,3H2,1-2H3,(H,16,18)/t7-,11+/m1/s1