methyl 3-[1-oxidanylidene-1-[3-oxidanylidene-6-(trifluoromethyl)-2,4-dihydroquinoxalin-1-yl]propan-2-yl]sulfanylpropanoate

Systemtic Name: methyl 3-[1-oxidanylidene-1-[3-oxidanylidene-6-(trifluoromethyl)-2,4-dihydroquinoxalin-1-yl]propan-2-yl]sulfanylpropanoate Openeye Name: methyl 3-[1-methyl-2-oxo-2-[3-oxo-6-(trifluoromethyl)-2,4-dihydroquinoxalin-1-yl]ethyl]sulfanylpropanoate CAS Name: 3-[[1-oxo-1-[3-oxo-6-(trifluoromethyl)-2,4-dihydroquinoxalin-1-yl]propan-2-yl]thio]propanoic acid methyl ester IUPAC Name: methyl 3-[1-oxo-1-[3-oxo-6-(trifluoromethyl)-2,4-dihydroquinoxalin-1-yl]propan-2-yl]sulfanylpropanoate Traditional Name: 3-[[2-keto-2-[3-keto-6-(trifluoromethyl)-2,4-dihydroquinoxalin-1-yl]-1-methyl-ethyl]thio]propionic acid methyl ester Formula: C16H17F3N2O4S MolecularWeight: 390.37739

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)N1CC(=O)NC2=C1C=CC(=C2)C(F)(F)F)SCCC(=O)OC

Isomeric SMILES

CC(C(=O)N1CC(=O)NC2=C1C=CC(=C2)C(F)(F)F)SCCC(=O)OC

InChI

InChI=1S/C16H17F3N2O4S/c1-9(26-6-5-14(23)25-2)15(24)21-8-13(22)20-11-7-10(16(17,18)19)3-4-12(11)21/h3-4,7,9H,5-6,8H2,1-2H3,(H,20,22)