2-[[6-bromanyl-3-(4-methoxycarbonyl-3-oxidanyl-phenyl)-4-oxidanylidene-quinazolin-2-yl]methylsulfanyl]propanoic acid

Systemtic Name: 2-[[6-bromanyl-3-(4-methoxycarbonyl-3-oxidanyl-phenyl)-4-oxidanylidene-quinazolin-2-yl]methylsulfanyl]propanoic acid Openeye Name: 2-[[6-bromo-3-(3-hydroxy-4-methoxycarbonyl-phenyl)-4-oxo-quinazolin-2-yl]methylsulfanyl]propanoic acid CAS Name: 2-[[6-bromo-3-(3-hydroxy-4-methoxycarbonylphenyl)-4-oxo-2-quinazolinyl]methylthio]propanoic acid IUPAC Name: 2-[[6-bromo-3-(3-hydroxy-4-methoxycarbonylphenyl)-4-oxoquinazolin-2-yl]methylsulfanyl]propanoic acid Traditional Name: 2-[[6-bromo-3-(4-carbomethoxy-3-hydroxy-phenyl)-4-keto-quinazolin-2-yl]methylthio]propionic acid Formula: C20H17BrN2O6S MolecularWeight: 493.32778

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)O)SCC1=NC2=C(C=C(C=C2)Br)C(=O)N1C3=CC(=C(C=C3)C(=O)OC)O

Isomeric SMILES

CC(C(=O)O)SCC1=NC2=C(C=C(C=C2)Br)C(=O)N1C3=CC(=C(C=C3)C(=O)OC)O

InChI

InChI=1S/C20H17BrN2O6S/c1-10(19(26)27)30-9-17-22-15-6-3-11(21)7-14(15)18(25)23(17)12-4-5-13(16(24)8-12)20(28)29-2/h3-8,10,24H,9H2,1-2H3,(H,26,27)