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

Systemtic Name: 3-[(5-ethoxycarbonyl-6-methyl-4-phenyl-1,4-dihydropyrimidin-2-yl)sulfanyl]propanoic acid Openeye Name: 3-[(5-ethoxycarbonyl-6-methyl-4-phenyl-1,4-dihydropyrimidin-2-yl)sulfanyl]propanoic acid CAS Name: 3-[(5-ethoxycarbonyl-6-methyl-4-phenyl-1,4-dihydropyrimidin-2-yl)thio]propanoic acid IUPAC Name: 3-[(5-ethoxycarbonyl-6-methyl-4-phenyl-1,4-dihydropyrimidin-2-yl)sulfanyl]propanoic acid Traditional Name: 3-[(5-carbethoxy-6-methyl-4-phenyl-1,4-dihydropyrimidin-2-yl)thio]propionic acid Formula: C17H20N2O4S MolecularWeight: 348.4167

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H20N2O4S/c1-3-23-16(22)14-11(2)18-17(24-10-9-13(20)21)19-15(14)12-7-5-4-6-8-12/h4-8,15H,3,9-10H2,1-2H3,(H,18,19)(H,20,21)