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

Systemtic Name: 2-[(5-ethoxycarbonyl-6-methyl-4-phenyl-1,4-dihydropyrimidin-2-yl)sulfanyl]ethanoic acid hydrobromide Openeye Name: 2-[(5-ethoxycarbonyl-6-methyl-4-phenyl-1,4-dihydropyrimidin-2-yl)sulfanyl]acetic acid hydrobromide CAS Name: 2-[(5-ethoxycarbonyl-6-methyl-4-phenyl-1,4-dihydropyrimidin-2-yl)thio]acetic acid hydrobromide IUPAC Name: 2-[(5-ethoxycarbonyl-6-methyl-4-phenyl-1,4-dihydropyrimidin-2-yl)sulfanyl]acetic acid hydrobromide Traditional Name: 2-[(5-carbethoxy-6-methyl-4-phenyl-1,4-dihydropyrimidin-2-yl)thio]acetic acid hydrobromide Formula: C16H19BrN2O4S MolecularWeight: 415.30206

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H18N2O4S.BrH/c1-3-22-15(21)13-10(2)17-16(23-9-12(19)20)18-14(13)11-7-5-4-6-8-11;/h4-8,14H,3,9H2,1-2H3,(H,17,18)(H,19,20);1H