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

Systemtic Name: propan-2-yl 5-aminocarbonyl-4-methyl-2-[4-[4-thiophen-2-yl-6-(trifluoromethyl)pyrimidin-2-yl]sulfonylbutanoylamino]thiophene-3-carboxylate Openeye Name: isopropyl 5-carbamoyl-4-methyl-2-[4-[4-(2-thienyl)-6-(trifluoromethyl)pyrimidin-2-yl]sulfonylbutanoylamino]thiophene-3-carboxylate CAS Name: 5-carbamoyl-4-methyl-2-[[1-oxo-4-[[4-thiophen-2-yl-6-(trifluoromethyl)-2-pyrimidinyl]sulfonyl]butyl]amino]-3-thiophenecarboxylic acid propan-2-yl ester IUPAC Name: propan-2-yl 5-carbamoyl-4-methyl-2-[4-[4-thiophen-2-yl-6-(trifluoromethyl)pyrimidin-2-yl]sulfonylbutanoylamino]thiophene-3-carboxylate Traditional Name: 5-carbamoyl-4-methyl-2-[4-[4-(2-thienyl)-6-(trifluoromethyl)pyrimidin-2-yl]sulfonylbutanoylamino]thiophene-3-carboxylic acid isopropyl ester Formula: C23H23F3N4O6S3 MolecularWeight: 604.64213

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC(=C1C(=O)OC(C)C)NC(=O)CCCS(=O)(=O)C2=NC(=CC(=N2)C(F)(F)F)C3=CC=CS3)C(=O)N

Isomeric SMILES

CC1=C(SC(=C1C(=O)OC(C)C)NC(=O)CCCS(=O)(=O)C2=NC(=CC(=N2)C(F)(F)F)C3=CC=CS3)C(=O)N

InChI

InChI=1S/C23H23F3N4O6S3/c1-11(2)36-21(33)17-12(3)18(19(27)32)38-20(17)30-16(31)7-5-9-39(34,35)22-28-13(14-6-4-8-37-14)10-15(29-22)23(24,25)26/h4,6,8,10-11H,5,7,9H2,1-3H3,(H2,27,32)(H,30,31)