ethyl 5-methyl-4-oxidanylidene-2-[3-(trifluoromethyl)phenyl]-3H-thieno[2,3-d]pyrimidine-6-carboxylate

Systemtic Name: ethyl 5-methyl-4-oxidanylidene-2-[3-(trifluoromethyl)phenyl]-3H-thieno[2,3-d]pyrimidine-6-carboxylate Openeye Name: ethyl 5-methyl-4-oxo-2-[3-(trifluoromethyl)phenyl]-3H-thieno[2,3-d]pyrimidine-6-carboxylate CAS Name: 5-methyl-4-oxo-2-[3-(trifluoromethyl)phenyl]-3H-thieno[2,3-d]pyrimidine-6-carboxylic acid ethyl ester IUPAC Name: ethyl 5-methyl-4-oxo-2-[3-(trifluoromethyl)phenyl]-3H-thieno[2,3-d]pyrimidine-6-carboxylate Traditional Name: 4-keto-5-methyl-2-[3-(trifluoromethyl)phenyl]-3H-thieno[2,3-d]pyrimidine-6-carboxylic acid ethyl ester Formula: C17H13F3N2O3S MolecularWeight: 382.35693

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(C2=C(S1)N=C(NC2=O)C3=CC(=CC=C3)C(F)(F)F)C

Isomeric SMILES

CCOC(=O)C1=C(C2=C(S1)N=C(NC2=O)C3=CC(=CC=C3)C(F)(F)F)C

InChI

InChI=1S/C17H13F3N2O3S/c1-3-25-16(24)12-8(2)11-14(23)21-13(22-15(11)26-12)9-5-4-6-10(7-9)17(18,19)20/h4-7H,3H2,1-2H3,(H,21,22,23)