dimethyl 5-[2-[5-(trifluoromethyl)pyridin-2-yl]sulfanylethanoylamino]benzene-1,3-dicarboxylate

Systemtic Name: dimethyl 5-[2-[5-(trifluoromethyl)pyridin-2-yl]sulfanylethanoylamino]benzene-1,3-dicarboxylate Openeye Name: dimethyl 5-[[2-[[5-(trifluoromethyl)-2-pyridyl]sulfanyl]acetyl]amino]benzene-1,3-dicarboxylate CAS Name: 5-[[1-oxo-2-[[5-(trifluoromethyl)-2-pyridinyl]thio]ethyl]amino]benzene-1,3-dicarboxylic acid dimethyl ester IUPAC Name: dimethyl 5-[[2-[5-(trifluoromethyl)pyridin-2-yl]sulfanylacetyl]amino]benzene-1,3-dicarboxylate Traditional Name: 5-[[2-[[5-(trifluoromethyl)-2-pyridyl]thio]acetyl]amino]benzene-1,3-dicarboxylic acid dimethyl ester Formula: C18H15F3N2O5S MolecularWeight: 428.38231

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC(=CC(=C1)NC(=O)CSC2=NC=C(C=C2)C(F)(F)F)C(=O)OC

Isomeric SMILES

COC(=O)C1=CC(=CC(=C1)NC(=O)CSC2=NC=C(C=C2)C(F)(F)F)C(=O)OC

InChI

InChI=1S/C18H15F3N2O5S/c1-27-16(25)10-5-11(17(26)28-2)7-13(6-10)23-14(24)9-29-15-4-3-12(8-22-15)18(19,20)21/h3-8H,9H2,1-2H3,(H,23,24)