ethyl 4-(2-ethoxy-4-methanoyl-phenoxy)-2-methylsulfanyl-pyrimidine-5-carboxylate

Systemtic Name: ethyl 4-(2-ethoxy-4-methanoyl-phenoxy)-2-methylsulfanyl-pyrimidine-5-carboxylate Openeye Name: ethyl 4-(2-ethoxy-4-formyl-phenoxy)-2-methylsulfanyl-pyrimidine-5-carboxylate CAS Name: 4-(2-ethoxy-4-formylphenoxy)-2-(methylthio)-5-pyrimidinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-(2-ethoxy-4-formylphenoxy)-2-methylsulfanylpyrimidine-5-carboxylate Traditional Name: 4-(2-ethoxy-4-formyl-phenoxy)-2-(methylthio)pyrimidine-5-carboxylic acid ethyl ester Formula: C17H18N2O5S MolecularWeight: 362.40022

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=CC(=C1)C=O)OC2=NC(=NC=C2C(=O)OCC)SC

Isomeric SMILES

CCOC1=C(C=CC(=C1)C=O)OC2=NC(=NC=C2C(=O)OCC)SC

InChI

InChI=1S/C17H18N2O5S/c1-4-22-14-8-11(10-20)6-7-13(14)24-15-12(16(21)23-5-2)9-18-17(19-15)25-3/h6-10H,4-5H2,1-3H3