ethyl 4-[[4-[2-(4-ethoxyphenyl)ethanoyloxy]phenyl]amino]-2-methylsulfanyl-pyrimidine-5-carboxylate

Systemtic Name: ethyl 4-[[4-[2-(4-ethoxyphenyl)ethanoyloxy]phenyl]amino]-2-methylsulfanyl-pyrimidine-5-carboxylate Openeye Name: ethyl 4-[4-[2-(4-ethoxyphenyl)acetyl]oxyanilino]-2-methylsulfanyl-pyrimidine-5-carboxylate CAS Name: 4-[4-[2-(4-ethoxyphenyl)-1-oxoethoxy]anilino]-2-(methylthio)-5-pyrimidinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-[4-[2-(4-ethoxyphenyl)acetyl]oxyanilino]-2-methylsulfanylpyrimidine-5-carboxylate Traditional Name: 2-(methylthio)-4-[4-(2-p-phenetylacetyl)oxyanilino]pyrimidine-5-carboxylic acid ethyl ester Formula: C24H25N3O5S MolecularWeight: 467.5374

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)CC(=O)OC2=CC=C(C=C2)NC3=NC(=NC=C3C(=O)OCC)SC

Isomeric SMILES

CCOC1=CC=C(C=C1)CC(=O)OC2=CC=C(C=C2)NC3=NC(=NC=C3C(=O)OCC)SC

InChI

InChI=1S/C24H25N3O5S/c1-4-30-18-10-6-16(7-11-18)14-21(28)32-19-12-8-17(9-13-19)26-22-20(23(29)31-5-2)15-25-24(27-22)33-3/h6-13,15H,4-5,14H2,1-3H3,(H,25,26,27)