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

Systemtic Name: ethyl 4-aminocarbonyl-3-methyl-5-[2-[4-thiophen-2-yl-6-(trifluoromethyl)pyrimidin-2-yl]sulfanylethanoylamino]thiophene-2-carboxylate Openeye Name: ethyl 4-carbamoyl-3-methyl-5-[[2-[4-(2-thienyl)-6-(trifluoromethyl)pyrimidin-2-yl]sulfanylacetyl]amino]thiophene-2-carboxylate CAS Name: 4-carbamoyl-3-methyl-5-[[1-oxo-2-[[4-thiophen-2-yl-6-(trifluoromethyl)-2-pyrimidinyl]thio]ethyl]amino]-2-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 4-carbamoyl-3-methyl-5-[[2-[4-thiophen-2-yl-6-(trifluoromethyl)pyrimidin-2-yl]sulfanylacetyl]amino]thiophene-2-carboxylate Traditional Name: 4-carbamoyl-3-methyl-5-[[2-[[4-(2-thienyl)-6-(trifluoromethyl)pyrimidin-2-yl]thio]acetyl]amino]thiophene-2-carboxylic acid ethyl ester Formula: C20H17F3N4O4S3 MolecularWeight: 530.56359

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(C(=C(S1)NC(=O)CSC2=NC(=CC(=N2)C(F)(F)F)C3=CC=CS3)C(=O)N)C

Isomeric SMILES

CCOC(=O)C1=C(C(=C(S1)NC(=O)CSC2=NC(=CC(=N2)C(F)(F)F)C3=CC=CS3)C(=O)N)C

InChI

InChI=1S/C20H17F3N4O4S3/c1-3-31-18(30)15-9(2)14(16(24)29)17(34-15)27-13(28)8-33-19-25-10(11-5-4-6-32-11)7-12(26-19)20(21,22)23/h4-7H,3,8H2,1-2H3,(H2,24,29)(H,27,28)