methyl 2-(1,3-dihydrobenzimidazol-2-ylidene)-3-oxidanylidene-4-[2-(trifluoromethyl)quinazolin-4-yl]sulfanyl-butanoate

Systemtic Name: methyl 2-(1,3-dihydrobenzimidazol-2-ylidene)-3-oxidanylidene-4-[2-(trifluoromethyl)quinazolin-4-yl]sulfanyl-butanoate Openeye Name: methyl 2-(1,3-dihydrobenzimidazol-2-ylidene)-3-oxo-4-[2-(trifluoromethyl)quinazolin-4-yl]sulfanyl-butanoate CAS Name: 2-(1,3-dihydrobenzimidazol-2-ylidene)-3-oxo-4-[[2-(trifluoromethyl)-4-quinazolinyl]thio]butanoic acid methyl ester IUPAC Name: methyl 2-(1,3-dihydrobenzimidazol-2-ylidene)-3-oxo-4-[2-(trifluoromethyl)quinazolin-4-yl]sulfanylbutanoate Traditional Name: 2-(1,3-dihydrobenzimidazol-2-ylidene)-3-keto-4-[[2-(trifluoromethyl)quinazolin-4-yl]thio]butyric acid methyl ester Formula: C21H15F3N4O3S MolecularWeight: 460.42901

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C(=C1NC2=CC=CC=C2N1)C(=O)CSC3=NC(=NC4=CC=CC=C43)C(F)(F)F

Isomeric SMILES

COC(=O)C(=C1NC2=CC=CC=C2N1)C(=O)CSC3=NC(=NC4=CC=CC=C43)C(F)(F)F

InChI

InChI=1S/C21H15F3N4O3S/c1-31-19(30)16(17-25-13-8-4-5-9-14(13)26-17)15(29)10-32-18-11-6-2-3-7-12(11)27-20(28-18)21(22,23)24/h2-9,25-26H,10H2,1H3