ethyl 3-[[3-chloranyl-5-(trifluoromethyl)pyridin-2-yl]sulfanylmethyl]-1-benzofuran-2-carboxylate

Systemtic Name: ethyl 3-[[3-chloranyl-5-(trifluoromethyl)pyridin-2-yl]sulfanylmethyl]-1-benzofuran-2-carboxylate Openeye Name: ethyl 3-[[3-chloro-5-(trifluoromethyl)-2-pyridyl]sulfanylmethyl]benzofuran-2-carboxylate CAS Name: 3-[[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]thio]methyl]-2-benzofurancarboxylic acid ethyl ester IUPAC Name: ethyl 3-[[3-chloro-5-(trifluoromethyl)pyridin-2-yl]sulfanylmethyl]-1-benzofuran-2-carboxylate Traditional Name: 3-[[[3-chloro-5-(trifluoromethyl)-2-pyridyl]thio]methyl]coumarilic acid ethyl ester Formula: C18H13ClF3NO3S MolecularWeight: 415.81393

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(C2=CC=CC=C2O1)CSC3=C(C=C(C=N3)C(F)(F)F)Cl

Isomeric SMILES

CCOC(=O)C1=C(C2=CC=CC=C2O1)CSC3=C(C=C(C=N3)C(F)(F)F)Cl

InChI

InChI=1S/C18H13ClF3NO3S/c1-2-25-17(24)15-12(11-5-3-4-6-14(11)26-15)9-27-16-13(19)7-10(8-23-16)18(20,21)22/h3-8H,2,9H2,1H3