ethyl 2-oxidanylidene-3-[1-[[2-(trifluoromethyl)phenyl]carbamothioyl]piperidin-4-yl]-1,3-oxazolidine-4-carboxylate

Systemtic Name: ethyl 2-oxidanylidene-3-[1-[[2-(trifluoromethyl)phenyl]carbamothioyl]piperidin-4-yl]-1,3-oxazolidine-4-carboxylate Openeye Name: ethyl 2-oxo-3-[1-[[2-(trifluoromethyl)phenyl]carbamothioyl]-4-piperidyl]oxazolidine-4-carboxylate CAS Name: 2-oxo-3-[1-[sulfanylidene-[2-(trifluoromethyl)anilino]methyl]-4-piperidinyl]-4-oxazolidinecarboxylic acid ethyl ester IUPAC Name: ethyl 2-oxo-3-[1-[[2-(trifluoromethyl)phenyl]carbamothioyl]piperidin-4-yl]-1,3-oxazolidine-4-carboxylate Traditional Name: 2-keto-3-[1-[[2-(trifluoromethyl)phenyl]thiocarbamoyl]-4-piperidyl]oxazolidine-4-carboxylic acid ethyl ester Formula: C19H22F3N3O4S MolecularWeight: 445.45589

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1COC(=O)N1C2CCN(CC2)C(=S)NC3=CC=CC=C3C(F)(F)F

Isomeric SMILES

CCOC(=O)C1COC(=O)N1C2CCN(CC2)C(=S)NC3=CC=CC=C3C(F)(F)F

InChI

InChI=1S/C19H22F3N3O4S/c1-2-28-16(26)15-11-29-18(27)25(15)12-7-9-24(10-8-12)17(30)23-14-6-4-3-5-13(14)19(20,21)22/h3-6,12,15H,2,7-11H2,1H3,(H,23,30)