propyl 5-aminocarbonyl-4-methyl-2-[2-[4-thiophen-2-yl-6-(trifluoromethyl)pyrimidin-2-yl]sulfanylethanoylamino]thiophene-3-carboxylate

Systemtic Name: propyl 5-aminocarbonyl-4-methyl-2-[2-[4-thiophen-2-yl-6-(trifluoromethyl)pyrimidin-2-yl]sulfanylethanoylamino]thiophene-3-carboxylate Openeye Name: propyl 5-carbamoyl-4-methyl-2-[[2-[4-(2-thienyl)-6-(trifluoromethyl)pyrimidin-2-yl]sulfanylacetyl]amino]thiophene-3-carboxylate CAS Name: 5-carbamoyl-4-methyl-2-[[1-oxo-2-[[4-thiophen-2-yl-6-(trifluoromethyl)-2-pyrimidinyl]thio]ethyl]amino]-3-thiophenecarboxylic acid propyl ester IUPAC Name: propyl 5-carbamoyl-4-methyl-2-[[2-[4-thiophen-2-yl-6-(trifluoromethyl)pyrimidin-2-yl]sulfanylacetyl]amino]thiophene-3-carboxylate Traditional Name: 5-carbamoyl-4-methyl-2-[[2-[[4-(2-thienyl)-6-(trifluoromethyl)pyrimidin-2-yl]thio]acetyl]amino]thiophene-3-carboxylic acid propyl ester Formula: C21H19F3N4O4S3 MolecularWeight: 544.59017

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCOC(=O)C1=C(SC(=C1C)C(=O)N)NC(=O)CSC2=NC(=CC(=N2)C(F)(F)F)C3=CC=CS3

Isomeric SMILES

CCCOC(=O)C1=C(SC(=C1C)C(=O)N)NC(=O)CSC2=NC(=CC(=N2)C(F)(F)F)C3=CC=CS3

InChI

InChI=1S/C21H19F3N4O4S3/c1-3-6-32-19(31)15-10(2)16(17(25)30)35-18(15)28-14(29)9-34-20-26-11(12-5-4-7-33-12)8-13(27-20)21(22,23)24/h4-5,7-8H,3,6,9H2,1-2H3,(H2,25,30)(H,28,29)