ethyl 4-[2-[4-(trifluoromethyl)pyrimidin-2-yl]sulfanylethanoylamino]butanoate

Systemtic Name: ethyl 4-[2-[4-(trifluoromethyl)pyrimidin-2-yl]sulfanylethanoylamino]butanoate Openeye Name: ethyl 4-[[2-[4-(trifluoromethyl)pyrimidin-2-yl]sulfanylacetyl]amino]butanoate CAS Name: 4-[[1-oxo-2-[[4-(trifluoromethyl)-2-pyrimidinyl]thio]ethyl]amino]butanoic acid ethyl ester IUPAC Name: ethyl 4-[[2-[4-(trifluoromethyl)pyrimidin-2-yl]sulfanylacetyl]amino]butanoate Traditional Name: 4-[[2-[[4-(trifluoromethyl)pyrimidin-2-yl]thio]acetyl]amino]butyric acid ethyl ester Formula: C13H16F3N3O3S MolecularWeight: 351.34465

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CCCNC(=O)CSC1=NC=CC(=N1)C(F)(F)F

Isomeric SMILES

CCOC(=O)CCCNC(=O)CSC1=NC=CC(=N1)C(F)(F)F

InChI

InChI=1S/C13H16F3N3O3S/c1-2-22-11(21)4-3-6-17-10(20)8-23-12-18-7-5-9(19-12)13(14,15)16/h5,7H,2-4,6,8H2,1H3,(H,17,20)