methyl 2-cyano-2-[3-[5-(trifluoromethyl)pyridin-2-yl]sulfanylquinoxalin-2-yl]ethanoate

Systemtic Name: methyl 2-cyano-2-[3-[5-(trifluoromethyl)pyridin-2-yl]sulfanylquinoxalin-2-yl]ethanoate Openeye Name: methyl 2-cyano-2-[3-[[5-(trifluoromethyl)-2-pyridyl]sulfanyl]quinoxalin-2-yl]acetate CAS Name: 2-cyano-2-[3-[[5-(trifluoromethyl)-2-pyridinyl]thio]-2-quinoxalinyl]acetic acid methyl ester IUPAC Name: methyl 2-cyano-2-[3-[5-(trifluoromethyl)pyridin-2-yl]sulfanylquinoxalin-2-yl]acetate Traditional Name: 2-cyano-2-[3-[[5-(trifluoromethyl)-2-pyridyl]thio]quinoxalin-2-yl]acetic acid methyl ester Formula: C18H11F3N4O2S MolecularWeight: 404.36575

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C(C#N)C1=NC2=CC=CC=C2N=C1SC3=NC=C(C=C3)C(F)(F)F

Isomeric SMILES

COC(=O)C(C#N)C1=NC2=CC=CC=C2N=C1SC3=NC=C(C=C3)C(F)(F)F

InChI

InChI=1S/C18H11F3N4O2S/c1-27-17(26)11(8-22)15-16(25-13-5-3-2-4-12(13)24-15)28-14-7-6-10(9-23-14)18(19,20)21/h2-7,9,11H,1H3