methyl 2-(1,3-dihydrobenzimidazol-2-ylidene)-3-oxidanylidene-4-[5-(trifluoromethyl)pyridin-2-yl]sulfanyl-butanoate

Systemtic Name: methyl 2-(1,3-dihydrobenzimidazol-2-ylidene)-3-oxidanylidene-4-[5-(trifluoromethyl)pyridin-2-yl]sulfanyl-butanoate Openeye Name: methyl 2-(1,3-dihydrobenzimidazol-2-ylidene)-3-oxo-4-[[5-(trifluoromethyl)-2-pyridyl]sulfanyl]butanoate CAS Name: 2-(1,3-dihydrobenzimidazol-2-ylidene)-3-oxo-4-[[5-(trifluoromethyl)-2-pyridinyl]thio]butanoic acid methyl ester IUPAC Name: methyl 2-(1,3-dihydrobenzimidazol-2-ylidene)-3-oxo-4-[5-(trifluoromethyl)pyridin-2-yl]sulfanylbutanoate Traditional Name: 2-(1,3-dihydrobenzimidazol-2-ylidene)-3-keto-4-[[5-(trifluoromethyl)-2-pyridyl]thio]butyric acid methyl ester Formula: C18H14F3N3O3S MolecularWeight: 409.38227

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C(=C1NC2=CC=CC=C2N1)C(=O)CSC3=NC=C(C=C3)C(F)(F)F

Isomeric SMILES

COC(=O)C(=C1NC2=CC=CC=C2N1)C(=O)CSC3=NC=C(C=C3)C(F)(F)F

InChI

InChI=1S/C18H14F3N3O3S/c1-27-17(26)15(16-23-11-4-2-3-5-12(11)24-16)13(25)9-28-14-7-6-10(8-22-14)18(19,20)21/h2-8,23-24H,9H2,1H3