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

Systemtic Name: methyl 2-(1,3-dihydrobenzimidazol-2-ylidene)-3-oxidanylidene-4-[4-(trifluoromethyl)pyrimidin-2-yl]sulfanyl-butanoate Openeye Name: methyl 2-(1,3-dihydrobenzimidazol-2-ylidene)-3-oxo-4-[4-(trifluoromethyl)pyrimidin-2-yl]sulfanyl-butanoate CAS Name: 2-(1,3-dihydrobenzimidazol-2-ylidene)-3-oxo-4-[[4-(trifluoromethyl)-2-pyrimidinyl]thio]butanoic acid methyl ester IUPAC Name: methyl 2-(1,3-dihydrobenzimidazol-2-ylidene)-3-oxo-4-[4-(trifluoromethyl)pyrimidin-2-yl]sulfanylbutanoate Traditional Name: 2-(1,3-dihydrobenzimidazol-2-ylidene)-3-keto-4-[[4-(trifluoromethyl)pyrimidin-2-yl]thio]butyric acid methyl ester Formula: C17H13F3N4O3S MolecularWeight: 410.37033

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C(=C1NC2=CC=CC=C2N1)C(=O)CSC3=NC=CC(=N3)C(F)(F)F

Isomeric SMILES

COC(=O)C(=C1NC2=CC=CC=C2N1)C(=O)CSC3=NC=CC(=N3)C(F)(F)F

InChI

InChI=1S/C17H13F3N4O3S/c1-27-15(26)13(14-22-9-4-2-3-5-10(9)23-14)11(25)8-28-16-21-7-6-12(24-16)17(18,19)20/h2-7,22-23H,8H2,1H3