ethyl (2R,3S)-3-[(2-methylphenyl)carbamoyl]-3-(trifluoromethyl)oxirane-2-carboxylate

Systemtic Name: ethyl (2R,3S)-3-[(2-methylphenyl)carbamoyl]-3-(trifluoromethyl)oxirane-2-carboxylate Openeye Name: ethyl (2R,3S)-3-(o-tolylcarbamoyl)-3-(trifluoromethyl)oxirane-2-carboxylate CAS Name: (2R,3S)-3-[(2-methylanilino)-oxomethyl]-3-(trifluoromethyl)-2-oxiranecarboxylic acid ethyl ester IUPAC Name: ethyl (2R,3S)-3-[(2-methylphenyl)carbamoyl]-3-(trifluoromethyl)oxirane-2-carboxylate Traditional Name: (2R,3S)-3-(o-tolylcarbamoyl)-3-(trifluoromethyl)oxirane-2-carboxylic acid ethyl ester Formula: C14H14F3NO4 MolecularWeight: 317.26047

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1C(O1)(C(=O)NC2=CC=CC=C2C)C(F)(F)F

Isomeric SMILES

CCOC(=O)[C@H]1[C@](O1)(C(=O)NC2=CC=CC=C2C)C(F)(F)F

InChI

InChI=1S/C14H14F3NO4/c1-3-21-11(19)10-13(22-10,14(15,16)17)12(20)18-9-7-5-4-6-8(9)2/h4-7,10H,3H2,1-2H3,(H,18,20)/t10-,13-/m0/s1