ethyl (3R,5R)-2-methylidene-4-oxidanylidene-5-(1,3-thiazol-2-ylamino)-5-(trifluoromethyl)pyrrolidin-1-ium-3-carboxylate

Systemtic Name: ethyl (3R,5R)-2-methylidene-4-oxidanylidene-5-(1,3-thiazol-2-ylamino)-5-(trifluoromethyl)pyrrolidin-1-ium-3-carboxylate Openeye Name: ethyl (3R,5R)-2-methylene-4-oxo-5-(thiazol-2-ylamino)-5-(trifluoromethyl)pyrrolidin-1-ium-3-carboxylate CAS Name: (3R,5R)-2-methylene-4-oxo-5-(2-thiazolylamino)-5-(trifluoromethyl)-3-pyrrolidin-1-iumcarboxylic acid ethyl ester IUPAC Name: ethyl (3R,5R)-2-methylidene-4-oxo-5-(1,3-thiazol-2-ylamino)-5-(trifluoromethyl)pyrrolidin-1-ium-3-carboxylate Traditional Name: (3R,5R)-4-keto-2-methylene-5-(thiazol-2-ylamino)-5-(trifluoromethyl)pyrrolidin-1-ium-3-carboxylic acid ethyl ester Formula: C12H13F3N3O3S+ MolecularWeight: 336.31013

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1C(=C)[NH2+]C(C1=O)(C(F)(F)F)NC2=NC=CS2

Isomeric SMILES

CCOC(=O)[C@@H]1C(=C)[NH2+][C@](C1=O)(C(F)(F)F)NC2=NC=CS2

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/h4-5,7,17H,2-3H2,1H3,(H,16,18)/p+1/t7-,11+/m1/s1