ethyl 4,5-dimethyl-2-[4-[4-thiophen-2-yl-6-(trifluoromethyl)pyrimidin-2-yl]sulfonylbutanoylamino]thiophene-3-carboxylate

Systemtic Name: ethyl 4,5-dimethyl-2-[4-[4-thiophen-2-yl-6-(trifluoromethyl)pyrimidin-2-yl]sulfonylbutanoylamino]thiophene-3-carboxylate Openeye Name: ethyl 4,5-dimethyl-2-[4-[4-(2-thienyl)-6-(trifluoromethyl)pyrimidin-2-yl]sulfonylbutanoylamino]thiophene-3-carboxylate CAS Name: 4,5-dimethyl-2-[[1-oxo-4-[[4-thiophen-2-yl-6-(trifluoromethyl)-2-pyrimidinyl]sulfonyl]butyl]amino]-3-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 4,5-dimethyl-2-[4-[4-thiophen-2-yl-6-(trifluoromethyl)pyrimidin-2-yl]sulfonylbutanoylamino]thiophene-3-carboxylate Traditional Name: 4,5-dimethyl-2-[4-[4-(2-thienyl)-6-(trifluoromethyl)pyrimidin-2-yl]sulfonylbutanoylamino]thiophene-3-carboxylic acid ethyl ester Formula: C22H22F3N3O5S3 MolecularWeight: 561.61739

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(SC(=C1C)C)NC(=O)CCCS(=O)(=O)C2=NC(=CC(=N2)C(F)(F)F)C3=CC=CS3

Isomeric SMILES

CCOC(=O)C1=C(SC(=C1C)C)NC(=O)CCCS(=O)(=O)C2=NC(=CC(=N2)C(F)(F)F)C3=CC=CS3

InChI

InChI=1S/C22H22F3N3O5S3/c1-4-33-20(30)18-12(2)13(3)35-19(18)28-17(29)8-6-10-36(31,32)21-26-14(15-7-5-9-34-15)11-16(27-21)22(23,24)25/h5,7,9,11H,4,6,8,10H2,1-3H3,(H,28,29)