3-[[4-(2,4-dimethoxyphenyl)-5-ethoxycarbonyl-6-methyl-1,4-dihydropyrimidin-2-yl]sulfanyl]propanoic acid

Systemtic Name: 3-[[4-(2,4-dimethoxyphenyl)-5-ethoxycarbonyl-6-methyl-1,4-dihydropyrimidin-2-yl]sulfanyl]propanoic acid Openeye Name: 3-[[4-(2,4-dimethoxyphenyl)-5-ethoxycarbonyl-6-methyl-1,4-dihydropyrimidin-2-yl]sulfanyl]propanoic acid CAS Name: 3-[[4-(2,4-dimethoxyphenyl)-5-ethoxycarbonyl-6-methyl-1,4-dihydropyrimidin-2-yl]thio]propanoic acid IUPAC Name: 3-[[4-(2,4-dimethoxyphenyl)-5-ethoxycarbonyl-6-methyl-1,4-dihydropyrimidin-2-yl]sulfanyl]propanoic acid Traditional Name: 3-[[5-carbethoxy-4-(2,4-dimethoxyphenyl)-6-methyl-1,4-dihydropyrimidin-2-yl]thio]propionic acid Formula: C19H24N2O6S MolecularWeight: 408.46866

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(NC(=NC1C2=C(C=C(C=C2)OC)OC)SCCC(=O)O)C

Isomeric SMILES

CCOC(=O)C1=C(NC(=NC1C2=C(C=C(C=C2)OC)OC)SCCC(=O)O)C

InChI

InChI=1S/C19H24N2O6S/c1-5-27-18(24)16-11(2)20-19(28-9-8-15(22)23)21-17(16)13-7-6-12(25-3)10-14(13)26-4/h6-7,10,17H,5,8-9H2,1-4H3,(H,20,21)(H,22,23)