ethyl 3-[[2-(2-chlorophenyl)-5-cyano-6-methylsulfanyl-pyrimidin-4-yl]amino]-5-methoxy-4-oxidanyl-benzoate

Systemtic Name: ethyl 3-[[2-(2-chlorophenyl)-5-cyano-6-methylsulfanyl-pyrimidin-4-yl]amino]-5-methoxy-4-oxidanyl-benzoate Openeye Name: ethyl 3-[[2-(2-chlorophenyl)-5-cyano-6-methylsulfanyl-pyrimidin-4-yl]amino]-4-hydroxy-5-methoxy-benzoate CAS Name: 3-[[2-(2-chlorophenyl)-5-cyano-6-(methylthio)-4-pyrimidinyl]amino]-4-hydroxy-5-methoxybenzoic acid ethyl ester IUPAC Name: ethyl 3-[[2-(2-chlorophenyl)-5-cyano-6-methylsulfanylpyrimidin-4-yl]amino]-4-hydroxy-5-methoxybenzoate Traditional Name: 3-[[2-(2-chlorophenyl)-5-cyano-6-(methylthio)pyrimidin-4-yl]amino]-4-hydroxy-5-methoxy-benzoic acid ethyl ester Formula: C22H19ClN4O4S MolecularWeight: 470.92866

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC(=C(C(=C1)OC)O)NC2=C(C(=NC(=N2)C3=CC=CC=C3Cl)SC)C#N

Isomeric SMILES

CCOC(=O)C1=CC(=C(C(=C1)OC)O)NC2=C(C(=NC(=N2)C3=CC=CC=C3Cl)SC)C#N

InChI

InChI=1S/C22H19ClN4O4S/c1-4-31-22(29)12-9-16(18(28)17(10-12)30-2)25-20-14(11-24)21(32-3)27-19(26-20)13-7-5-6-8-15(13)23/h5-10,28H,4H2,1-3H3,(H,25,26,27)