methyl 2-[2-oxidanylidene-7-(trifluoromethylsulfonyl)-3,4-dihydro-1H-quinolin-3-yl]ethanoate

Systemtic Name: methyl 2-[2-oxidanylidene-7-(trifluoromethylsulfonyl)-3,4-dihydro-1H-quinolin-3-yl]ethanoate Openeye Name: methyl 2-[2-oxo-7-(trifluoromethylsulfonyl)-3,4-dihydro-1H-quinolin-3-yl]acetate CAS Name: 2-[2-oxo-7-(trifluoromethylsulfonyl)-3,4-dihydro-1H-quinolin-3-yl]acetic acid methyl ester IUPAC Name: methyl 2-[2-oxo-7-(trifluoromethylsulfonyl)-3,4-dihydro-1H-quinolin-3-yl]acetate Traditional Name: 2-(2-keto-7-triflyl-3,4-dihydro-1H-quinolin-3-yl)acetic acid methyl ester Formula: C13H12F3NO5S MolecularWeight: 351.29829

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CC1CC2=C(C=C(C=C2)S(=O)(=O)C(F)(F)F)NC1=O

Isomeric SMILES

COC(=O)CC1CC2=C(C=C(C=C2)S(=O)(=O)C(F)(F)F)NC1=O

InChI

InChI=1S/C13H12F3NO5S/c1-22-11(18)5-8-4-7-2-3-9(6-10(7)17-12(8)19)23(20,21)13(14,15)16/h2-3,6,8H,4-5H2,1H3,(H,17,19)