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

Systemtic Name: ethyl 4-(3-methoxy-4-oxidanyl-phenyl)-6-methyl-2-methylsulfanyl-1,4-dihydropyrimidin-3-ium-5-carboxylate Openeye Name: ethyl 4-(4-hydroxy-3-methoxy-phenyl)-6-methyl-2-methylsulfanyl-1,4-dihydropyrimidin-3-ium-5-carboxylate CAS Name: 4-(4-hydroxy-3-methoxyphenyl)-6-methyl-2-(methylthio)-1,4-dihydropyrimidin-3-ium-5-carboxylic acid ethyl ester IUPAC Name: ethyl 4-(4-hydroxy-3-methoxyphenyl)-6-methyl-2-methylsulfanyl-1,4-dihydropyrimidin-3-ium-5-carboxylate Traditional Name: 4-(4-hydroxy-3-methoxy-phenyl)-6-methyl-2-(methylthio)-1,4-dihydropyrimidin-3-ium-5-carboxylic acid ethyl ester Formula: C16H21N2O4S+ MolecularWeight: 337.41394

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H20N2O4S/c1-5-22-15(20)13-9(2)17-16(23-4)18-14(13)10-6-7-11(19)12(8-10)21-3/h6-8,14,19H,5H2,1-4H3,(H,17,18)/p+1