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

Systemtic Name: 2-[[6-bromanyl-3-(4-ethoxycarbonylphenyl)-4-oxidanylidene-quinazolin-2-yl]methylsulfanyl]ethanoic acid Openeye Name: 2-[[6-bromo-3-(4-ethoxycarbonylphenyl)-4-oxo-quinazolin-2-yl]methylsulfanyl]acetic acid CAS Name: 2-[[6-bromo-3-(4-ethoxycarbonylphenyl)-4-oxo-2-quinazolinyl]methylthio]acetic acid IUPAC Name: 2-[[6-bromo-3-(4-ethoxycarbonylphenyl)-4-oxoquinazolin-2-yl]methylsulfanyl]acetic acid Traditional Name: 2-[[6-bromo-3-(4-carbethoxyphenyl)-4-keto-quinazolin-2-yl]methylthio]acetic acid Formula: C20H17BrN2O5S MolecularWeight: 477.32838

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H17BrN2O5S/c1-2-28-20(27)12-3-6-14(7-4-12)23-17(10-29-11-18(24)25)22-16-8-5-13(21)9-15(16)19(23)26/h3-9H,2,10-11H2,1H3,(H,24,25)