ethyl 2-methylsulfanyl-4-oxidanylidene-7-[3-(trifluoromethyl)phenyl]-1H-pyrido[2,3-d]pyrimidine-5-carboxylate

Systemtic Name: ethyl 2-methylsulfanyl-4-oxidanylidene-7-[3-(trifluoromethyl)phenyl]-1H-pyrido[2,3-d]pyrimidine-5-carboxylate Openeye Name: ethyl 2-methylsulfanyl-4-oxo-7-[3-(trifluoromethyl)phenyl]-1H-pyrido[2,3-d]pyrimidine-5-carboxylate CAS Name: 2-(methylthio)-4-oxo-7-[3-(trifluoromethyl)phenyl]-1H-pyrido[2,3-d]pyrimidine-5-carboxylic acid ethyl ester IUPAC Name: ethyl 2-methylsulfanyl-4-oxo-7-[3-(trifluoromethyl)phenyl]-1H-pyrido[2,3-d]pyrimidine-5-carboxylate Traditional Name: 4-keto-2-(methylthio)-7-[3-(trifluoromethyl)phenyl]-1H-pyrido[2,3-d]pyrimidine-5-carboxylic acid ethyl ester Formula: C18H14F3N3O3S MolecularWeight: 409.38227

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC(=NC2=C1C(=O)N=C(N2)SC)C3=CC(=CC=C3)C(F)(F)F

Isomeric SMILES

CCOC(=O)C1=CC(=NC2=C1C(=O)N=C(N2)SC)C3=CC(=CC=C3)C(F)(F)F

InChI

InChI=1S/C18H14F3N3O3S/c1-3-27-16(26)11-8-12(9-5-4-6-10(7-9)18(19,20)21)22-14-13(11)15(25)24-17(23-14)28-2/h4-8H,3H2,1-2H3,(H,22,23,24,25)