2-[6-(1,3-benzodioxol-5-yl)-3-cyano-4-(trifluoromethyl)pyridin-2-yl]sulfanylethanoic acid

Systemtic Name: 2-[6-(1,3-benzodioxol-5-yl)-3-cyano-4-(trifluoromethyl)pyridin-2-yl]sulfanylethanoic acid Openeye Name: 2-[[6-(1,3-benzodioxol-5-yl)-3-cyano-4-(trifluoromethyl)-2-pyridyl]sulfanyl]acetic acid CAS Name: 2-[[6-(1,3-benzodioxol-5-yl)-3-cyano-4-(trifluoromethyl)-2-pyridinyl]thio]acetic acid IUPAC Name: 2-[6-(1,3-benzodioxol-5-yl)-3-cyano-4-(trifluoromethyl)pyridin-2-yl]sulfanylacetic acid Traditional Name: 2-[[6-(1,3-benzodioxol-5-yl)-3-cyano-4-(trifluoromethyl)-2-pyridyl]thio]acetic acid Formula: C16H9F3N2O4S MolecularWeight: 382.31387

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1OC2=C(O1)C=C(C=C2)C3=NC(=C(C(=C3)C(F)(F)F)C#N)SCC(=O)O

Isomeric SMILES

C1OC2=C(O1)C=C(C=C2)C3=NC(=C(C(=C3)C(F)(F)F)C#N)SCC(=O)O

InChI

InChI=1S/C16H9F3N2O4S/c17-16(18,19)10-4-11(8-1-2-12-13(3-8)25-7-24-12)21-15(9(10)5-20)26-6-14(22)23/h1-4H,6-7H2,(H,22,23)