ethyl 4-[4-(1-ethoxy-1-oxidanylidene-propan-2-yl)oxyphenyl]-6-methyl-2-sulfanylidene-3,4-dihydro-1H-pyrimidine-5-carboxylate

Systemtic Name: ethyl 4-[4-(1-ethoxy-1-oxidanylidene-propan-2-yl)oxyphenyl]-6-methyl-2-sulfanylidene-3,4-dihydro-1H-pyrimidine-5-carboxylate Openeye Name: ethyl 4-[4-(2-ethoxy-1-methyl-2-oxo-ethoxy)phenyl]-6-methyl-2-thioxo-3,4-dihydro-1H-pyrimidine-5-carboxylate CAS Name: 4-[4-(1-ethoxy-1-oxopropan-2-yl)oxyphenyl]-6-methyl-2-sulfanylidene-3,4-dihydro-1H-pyrimidine-5-carboxylic acid ethyl ester IUPAC Name: ethyl 4-[4-(1-ethoxy-1-oxopropan-2-yl)oxyphenyl]-6-methyl-2-sulfanylidene-3,4-dihydro-1H-pyrimidine-5-carboxylate Traditional Name: 4-[4-(2-ethoxy-2-keto-1-methyl-ethoxy)phenyl]-6-methyl-2-thioxo-3,4-dihydro-1H-pyrimidine-5-carboxylic acid ethyl ester Formula: C19H24N2O5S MolecularWeight: 392.46926

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(NC(=S)NC1C2=CC=C(C=C2)OC(C)C(=O)OCC)C

Isomeric SMILES

CCOC(=O)C1=C(NC(=S)NC1C2=CC=C(C=C2)OC(C)C(=O)OCC)C

InChI

InChI=1S/C19H24N2O5S/c1-5-24-17(22)12(4)26-14-9-7-13(8-10-14)16-15(18(23)25-6-2)11(3)20-19(27)21-16/h7-10,12,16H,5-6H2,1-4H3,(H2,20,21,27)