ethyl 2-[[5-methyl-4-oxidanylidene-3-[2-oxidanylidene-2-[[3-(trifluoromethyl)phenyl]amino]ethyl]thieno[2,3-d]pyrimidin-6-yl]carbonylamino]benzoate

Systemtic Name: ethyl 2-[[5-methyl-4-oxidanylidene-3-[2-oxidanylidene-2-[[3-(trifluoromethyl)phenyl]amino]ethyl]thieno[2,3-d]pyrimidin-6-yl]carbonylamino]benzoate Openeye Name: ethyl 2-[[5-methyl-4-oxo-3-[2-oxo-2-[3-(trifluoromethyl)anilino]ethyl]thieno[2,3-d]pyrimidine-6-carbonyl]amino]benzoate CAS Name: 2-[[[5-methyl-4-oxo-3-[2-oxo-2-[3-(trifluoromethyl)anilino]ethyl]-6-thieno[2,3-d]pyrimidinyl]-oxomethyl]amino]benzoic acid ethyl ester IUPAC Name: ethyl 2-[[5-methyl-4-oxo-3-[2-oxo-2-[3-(trifluoromethyl)anilino]ethyl]thieno[2,3-d]pyrimidine-6-carbonyl]amino]benzoate Traditional Name: 2-[[4-keto-3-[2-keto-2-[3-(trifluoromethyl)anilino]ethyl]-5-methyl-thieno[2,3-d]pyrimidine-6-carbonyl]amino]benzoic acid ethyl ester Formula: C26H21F3N4O5S MolecularWeight: 558.52895

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC=CC=C1NC(=O)C2=C(C3=C(S2)N=CN(C3=O)CC(=O)NC4=CC=CC(=C4)C(F)(F)F)C

Isomeric SMILES

CCOC(=O)C1=CC=CC=C1NC(=O)C2=C(C3=C(S2)N=CN(C3=O)CC(=O)NC4=CC=CC(=C4)C(F)(F)F)C

InChI

InChI=1S/C26H21F3N4O5S/c1-3-38-25(37)17-9-4-5-10-18(17)32-22(35)21-14(2)20-23(39-21)30-13-33(24(20)36)12-19(34)31-16-8-6-7-15(11-16)26(27,28)29/h4-11,13H,3,12H2,1-2H3,(H,31,34)(H,32,35)