ethyl 4-(4-methoxyphenyl)-2-[2-(4-methoxyphenyl)-2-oxidanylidene-ethyl]sulfanyl-6-methyl-1,4-dihydropyrimidin-3-ium-5-carboxylate

Systemtic Name: ethyl 4-(4-methoxyphenyl)-2-[2-(4-methoxyphenyl)-2-oxidanylidene-ethyl]sulfanyl-6-methyl-1,4-dihydropyrimidin-3-ium-5-carboxylate Openeye Name: ethyl 4-(4-methoxyphenyl)-2-[2-(4-methoxyphenyl)-2-oxo-ethyl]sulfanyl-6-methyl-1,4-dihydropyrimidin-3-ium-5-carboxylate CAS Name: 4-(4-methoxyphenyl)-2-[[2-(4-methoxyphenyl)-2-oxoethyl]thio]-6-methyl-1,4-dihydropyrimidin-3-ium-5-carboxylic acid ethyl ester IUPAC Name: ethyl 4-(4-methoxyphenyl)-2-[2-(4-methoxyphenyl)-2-oxoethyl]sulfanyl-6-methyl-1,4-dihydropyrimidin-3-ium-5-carboxylate Traditional Name: 2-[[2-keto-2-(4-methoxyphenyl)ethyl]thio]-4-(4-methoxyphenyl)-6-methyl-1,4-dihydropyrimidin-3-ium-5-carboxylic acid ethyl ester Formula: C24H27N2O5S+ MolecularWeight: 455.54658

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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=C(C=C3)OC)C

Isomeric SMILES

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

InChI

InChI=1S/C24H26N2O5S/c1-5-31-23(28)21-15(2)25-24(26-22(21)17-8-12-19(30-4)13-9-17)32-14-20(27)16-6-10-18(29-3)11-7-16/h6-13,22H,5,14H2,1-4H3,(H,25,26)/p+1