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

Systemtic Name: 3-[[4-(4-dimethylaminophenyl)-5-ethoxycarbonyl-6-methyl-1,4-dihydropyrimidin-2-yl]sulfanyl]propanoic acid Openeye Name: 3-[[4-(4-dimethylaminophenyl)-5-ethoxycarbonyl-6-methyl-1,4-dihydropyrimidin-2-yl]sulfanyl]propanoic acid CAS Name: 3-[[4-(4-dimethylaminophenyl)-5-ethoxycarbonyl-6-methyl-1,4-dihydropyrimidin-2-yl]thio]propanoic acid IUPAC Name: 3-[[4-(4-dimethylaminophenyl)-5-ethoxycarbonyl-6-methyl-1,4-dihydropyrimidin-2-yl]sulfanyl]propanoic acid Traditional Name: 3-[[5-carbethoxy-4-(4-dimethylaminophenyl)-6-methyl-1,4-dihydropyrimidin-2-yl]thio]propionic acid Formula: C19H25N3O4S MolecularWeight: 391.4845

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(NC(=NC1C2=CC=C(C=C2)N(C)C)SCCC(=O)O)C

Isomeric SMILES

CCOC(=O)C1=C(NC(=NC1C2=CC=C(C=C2)N(C)C)SCCC(=O)O)C

InChI

InChI=1S/C19H25N3O4S/c1-5-26-18(25)16-12(2)20-19(27-11-10-15(23)24)21-17(16)13-6-8-14(9-7-13)22(3)4/h6-9,17H,5,10-11H2,1-4H3,(H,20,21)(H,23,24)