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

Systemtic Name: 3-[[4-(3-bromophenyl)-5-ethoxycarbonyl-6-methyl-1,4-dihydropyrimidin-2-yl]sulfanyl]propanoic acid Openeye Name: 3-[[4-(3-bromophenyl)-5-ethoxycarbonyl-6-methyl-1,4-dihydropyrimidin-2-yl]sulfanyl]propanoic acid CAS Name: 3-[[4-(3-bromophenyl)-5-ethoxycarbonyl-6-methyl-1,4-dihydropyrimidin-2-yl]thio]propanoic acid IUPAC Name: 3-[[4-(3-bromophenyl)-5-ethoxycarbonyl-6-methyl-1,4-dihydropyrimidin-2-yl]sulfanyl]propanoic acid Traditional Name: 3-[[4-(3-bromophenyl)-5-carbethoxy-6-methyl-1,4-dihydropyrimidin-2-yl]thio]propionic acid Formula: C17H19BrN2O4S MolecularWeight: 427.31276

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H19BrN2O4S/c1-3-24-16(23)14-10(2)19-17(25-8-7-13(21)22)20-15(14)11-5-4-6-12(18)9-11/h4-6,9,15H,3,7-8H2,1-2H3,(H,19,20)(H,21,22)