[2-[[(2S)-1-methoxy-4-methyl-1-oxidanylidene-pentan-2-yl]amino]-2-oxidanylidene-ethyl] 4-(trifluoromethylsulfanyl)benzoate

Systemtic Name: [2-[[(2S)-1-methoxy-4-methyl-1-oxidanylidene-pentan-2-yl]amino]-2-oxidanylidene-ethyl] 4-(trifluoromethylsulfanyl)benzoate Openeye Name: [2-[[(1S)-1-methoxycarbonyl-3-methyl-butyl]amino]-2-oxo-ethyl] 4-(trifluoromethylsulfanyl)benzoate CAS Name: 4-(trifluoromethylthio)benzoic acid [2-[[(2S)-1-methoxy-4-methyl-1-oxopentan-2-yl]amino]-2-oxoethyl] ester IUPAC Name: [2-[[(2S)-1-methoxy-4-methyl-1-oxopentan-2-yl]amino]-2-oxoethyl] 4-(trifluoromethylsulfanyl)benzoate Traditional Name: 4-(trifluoromethylthio)benzoic acid [2-[[(1S)-1-carbomethoxy-3-methyl-butyl]amino]-2-keto-ethyl] ester Formula: C17H20F3NO5S MolecularWeight: 407.40461

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(C(=O)OC)NC(=O)COC(=O)C1=CC=C(C=C1)SC(F)(F)F

Isomeric SMILES

CC(C)C[C@@H](C(=O)OC)NC(=O)COC(=O)C1=CC=C(C=C1)SC(F)(F)F

InChI

InChI=1S/C17H20F3NO5S/c1-10(2)8-13(16(24)25-3)21-14(22)9-26-15(23)11-4-6-12(7-5-11)27-17(18,19)20/h4-7,10,13H,8-9H2,1-3H3,(H,21,22)/t13-/m0/s1