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

Systemtic Name: 2-[[6-bromanyl-3-(4-methoxycarbonyl-3-oxidanyl-phenyl)-4-oxidanylidene-quinazolin-2-yl]methylsulfanyl]ethanoic acid Openeye Name: 2-[[6-bromo-3-(3-hydroxy-4-methoxycarbonyl-phenyl)-4-oxo-quinazolin-2-yl]methylsulfanyl]acetic acid CAS Name: 2-[[6-bromo-3-(3-hydroxy-4-methoxycarbonylphenyl)-4-oxo-2-quinazolinyl]methylthio]acetic acid IUPAC Name: 2-[[6-bromo-3-(3-hydroxy-4-methoxycarbonylphenyl)-4-oxoquinazolin-2-yl]methylsulfanyl]acetic acid Traditional Name: 2-[[6-bromo-3-(4-carbomethoxy-3-hydroxy-phenyl)-4-keto-quinazolin-2-yl]methylthio]acetic acid Formula: C19H15BrN2O6S MolecularWeight: 479.3012

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=C(C=C(C=C1)N2C(=NC3=C(C2=O)C=C(C=C3)Br)CSCC(=O)O)O

Isomeric SMILES

COC(=O)C1=C(C=C(C=C1)N2C(=NC3=C(C2=O)C=C(C=C3)Br)CSCC(=O)O)O

InChI

InChI=1S/C19H15BrN2O6S/c1-28-19(27)12-4-3-11(7-15(12)23)22-16(8-29-9-17(24)25)21-14-5-2-10(20)6-13(14)18(22)26/h2-7,23H,8-9H2,1H3,(H,24,25)