ethyl 4-(2,4-dimethoxyphenyl)-6-methyl-2-methylsulfanyl-1,4-dihydropyrimidin-3-ium-5-carboxylate

Systemtic Name: ethyl 4-(2,4-dimethoxyphenyl)-6-methyl-2-methylsulfanyl-1,4-dihydropyrimidin-3-ium-5-carboxylate Openeye Name: ethyl 4-(2,4-dimethoxyphenyl)-6-methyl-2-methylsulfanyl-1,4-dihydropyrimidin-3-ium-5-carboxylate CAS Name: 4-(2,4-dimethoxyphenyl)-6-methyl-2-(methylthio)-1,4-dihydropyrimidin-3-ium-5-carboxylic acid ethyl ester IUPAC Name: ethyl 4-(2,4-dimethoxyphenyl)-6-methyl-2-methylsulfanyl-1,4-dihydropyrimidin-3-ium-5-carboxylate Traditional Name: 4-(2,4-dimethoxyphenyl)-6-methyl-2-(methylthio)-1,4-dihydropyrimidin-3-ium-5-carboxylic acid ethyl ester Formula: C17H23N2O4S+ MolecularWeight: 351.44052

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(NC(=[NH+]C1C2=C(C=C(C=C2)OC)OC)SC)C

Isomeric SMILES

CCOC(=O)C1=C(NC(=[NH+]C1C2=C(C=C(C=C2)OC)OC)SC)C

InChI

InChI=1S/C17H22N2O4S/c1-6-23-16(20)14-10(2)18-17(24-5)19-15(14)12-8-7-11(21-3)9-13(12)22-4/h7-9,15H,6H2,1-5H3,(H,18,19)/p+1