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

Systemtic Name: ethyl 4-(4-methoxyphenyl)-6-methyl-2-[2-(4-nitrophenyl)-2-oxidanylidene-ethyl]sulfanyl-1,4-dihydropyrimidin-3-ium-5-carboxylate bromide Openeye Name: ethyl 4-(4-methoxyphenyl)-6-methyl-2-[2-(4-nitrophenyl)-2-oxo-ethyl]sulfanyl-1,4-dihydropyrimidin-3-ium-5-carboxylate bromide CAS Name: 4-(4-methoxyphenyl)-6-methyl-2-[[2-(4-nitrophenyl)-2-oxoethyl]thio]-1,4-dihydropyrimidin-3-ium-5-carboxylic acid ethyl ester bromide IUPAC Name: ethyl 4-(4-methoxyphenyl)-6-methyl-2-[2-(4-nitrophenyl)-2-oxoethyl]sulfanyl-1,4-dihydropyrimidin-3-ium-5-carboxylate bromide Traditional Name: 2-[[2-keto-2-(4-nitrophenyl)ethyl]thio]-4-(4-methoxyphenyl)-6-methyl-1,4-dihydropyrimidin-3-ium-5-carboxylic acid ethyl ester bromide Formula: C23H24BrN3O6S MolecularWeight: 550.42216

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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)[N+](=O)[O-])C.[Br-]

Isomeric SMILES

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

InChI

InChI=1S/C23H23N3O6S.BrH/c1-4-32-22(28)20-14(2)24-23(25-21(20)16-7-11-18(31-3)12-8-16)33-13-19(27)15-5-9-17(10-6-15)26(29)30;/h5-12,21H,4,13H2,1-3H3,(H,24,25);1H