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

Systemtic Name: ethyl 3-[(3-chlorophenyl)methyl]-5-methyl-4-oxidanylidene-2-[2-oxidanylidene-2-[[3-(trifluoromethyl)phenyl]amino]ethyl]sulfanyl-thieno[2,3-d]pyrimidine-6-carboxylate Openeye Name: ethyl 3-[(3-chlorophenyl)methyl]-5-methyl-4-oxo-2-[2-oxo-2-[3-(trifluoromethyl)anilino]ethyl]sulfanyl-thieno[2,3-d]pyrimidine-6-carboxylate CAS Name: 3-[(3-chlorophenyl)methyl]-5-methyl-4-oxo-2-[[2-oxo-2-[3-(trifluoromethyl)anilino]ethyl]thio]-6-thieno[2,3-d]pyrimidinecarboxylic acid ethyl ester IUPAC Name: ethyl 3-[(3-chlorophenyl)methyl]-5-methyl-4-oxo-2-[2-oxo-2-[3-(trifluoromethyl)anilino]ethyl]sulfanylthieno[2,3-d]pyrimidine-6-carboxylate Traditional Name: 3-(3-chlorobenzyl)-4-keto-2-[[2-keto-2-[3-(trifluoromethyl)anilino]ethyl]thio]-5-methyl-thieno[2,3-d]pyrimidine-6-carboxylic acid ethyl ester Formula: C26H21ClF3N3O4S2 MolecularWeight: 596.04085

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(C2=C(S1)N=C(N(C2=O)CC3=CC(=CC=C3)Cl)SCC(=O)NC4=CC=CC(=C4)C(F)(F)F)C

Isomeric SMILES

CCOC(=O)C1=C(C2=C(S1)N=C(N(C2=O)CC3=CC(=CC=C3)Cl)SCC(=O)NC4=CC=CC(=C4)C(F)(F)F)C

InChI

InChI=1S/C26H21ClF3N3O4S2/c1-3-37-24(36)21-14(2)20-22(39-21)32-25(33(23(20)35)12-15-6-4-8-17(27)10-15)38-13-19(34)31-18-9-5-7-16(11-18)26(28,29)30/h4-11H,3,12-13H2,1-2H3,(H,31,34)