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

Systemtic Name: 3-[[5-ethoxycarbonyl-4-(2-ethoxyphenyl)-6-methyl-1,4-dihydropyrimidin-2-yl]sulfanyl]propanoic acid Openeye Name: 3-[[5-ethoxycarbonyl-4-(2-ethoxyphenyl)-6-methyl-1,4-dihydropyrimidin-2-yl]sulfanyl]propanoic acid CAS Name: 3-[[5-ethoxycarbonyl-4-(2-ethoxyphenyl)-6-methyl-1,4-dihydropyrimidin-2-yl]thio]propanoic acid IUPAC Name: 3-[[5-ethoxycarbonyl-4-(2-ethoxyphenyl)-6-methyl-1,4-dihydropyrimidin-2-yl]sulfanyl]propanoic acid Traditional Name: 3-[(5-carbethoxy-6-methyl-4-o-phenetyl-1,4-dihydropyrimidin-2-yl)thio]propionic acid Formula: C19H24N2O5S MolecularWeight: 392.46926

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=CC=C1C2C(=C(NC(=N2)SCCC(=O)O)C)C(=O)OCC

Isomeric SMILES

CCOC1=CC=CC=C1C2C(=C(NC(=N2)SCCC(=O)O)C)C(=O)OCC

InChI

InChI=1S/C19H24N2O5S/c1-4-25-14-9-7-6-8-13(14)17-16(18(24)26-5-2)12(3)20-19(21-17)27-11-10-15(22)23/h6-9,17H,4-5,10-11H2,1-3H3,(H,20,21)(H,22,23)