ethyl 4-(4-methoxyphenyl)-6-methyl-2-phenacylsulfanyl-1,4-dihydropyrimidin-3-ium-5-carboxylate

Systemtic Name: ethyl 4-(4-methoxyphenyl)-6-methyl-2-phenacylsulfanyl-1,4-dihydropyrimidin-3-ium-5-carboxylate Openeye Name: ethyl 4-(4-methoxyphenyl)-6-methyl-2-phenacylsulfanyl-1,4-dihydropyrimidin-3-ium-5-carboxylate CAS Name: 4-(4-methoxyphenyl)-6-methyl-2-(phenacylthio)-1,4-dihydropyrimidin-3-ium-5-carboxylic acid ethyl ester IUPAC Name: ethyl 4-(4-methoxyphenyl)-6-methyl-2-phenacylsulfanyl-1,4-dihydropyrimidin-3-ium-5-carboxylate Traditional Name: 4-(4-methoxyphenyl)-6-methyl-2-(phenacylthio)-1,4-dihydropyrimidin-3-ium-5-carboxylic acid ethyl ester Formula: C23H25N2O4S+ MolecularWeight: 425.5206

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(NC(=[NH+]C1C2=CC=C(C=C2)OC)SCC(=O)C3=CC=CC=C3)C

Isomeric SMILES

CCOC(=O)C1=C(NC(=[NH+]C1C2=CC=C(C=C2)OC)SCC(=O)C3=CC=CC=C3)C

InChI

InChI=1S/C23H24N2O4S/c1-4-29-22(27)20-15(2)24-23(30-14-19(26)16-8-6-5-7-9-16)25-21(20)17-10-12-18(28-3)13-11-17/h5-13,21H,4,14H2,1-3H3,(H,24,25)/p+1