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

Systemtic Name: 2-[[4-(2,4-dimethoxyphenyl)-5-ethoxycarbonyl-6-methyl-1,4-dihydropyrimidin-2-yl]sulfanyl]ethanoic acid Openeye Name: 2-[[4-(2,4-dimethoxyphenyl)-5-ethoxycarbonyl-6-methyl-1,4-dihydropyrimidin-2-yl]sulfanyl]acetic acid CAS Name: 2-[[4-(2,4-dimethoxyphenyl)-5-ethoxycarbonyl-6-methyl-1,4-dihydropyrimidin-2-yl]thio]acetic acid IUPAC Name: 2-[[4-(2,4-dimethoxyphenyl)-5-ethoxycarbonyl-6-methyl-1,4-dihydropyrimidin-2-yl]sulfanyl]acetic acid Traditional Name: 2-[[5-carbethoxy-4-(2,4-dimethoxyphenyl)-6-methyl-1,4-dihydropyrimidin-2-yl]thio]acetic acid Formula: C18H22N2O6S MolecularWeight: 394.44208

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H22N2O6S/c1-5-26-17(23)15-10(2)19-18(27-9-14(21)22)20-16(15)12-7-6-11(24-3)8-13(12)25-4/h6-8,16H,5,9H2,1-4H3,(H,19,20)(H,21,22)