methyl 2-[2-[(2-bromanyl-4,5-dimethoxy-phenyl)methylsulfanyl]-4-oxidanylidene-quinazolin-3-yl]ethanoate

Systemtic Name: methyl 2-[2-[(2-bromanyl-4,5-dimethoxy-phenyl)methylsulfanyl]-4-oxidanylidene-quinazolin-3-yl]ethanoate Openeye Name: methyl 2-[2-[(2-bromo-4,5-dimethoxy-phenyl)methylsulfanyl]-4-oxo-quinazolin-3-yl]acetate CAS Name: 2-[2-[(2-bromo-4,5-dimethoxyphenyl)methylthio]-4-oxo-3-quinazolinyl]acetic acid methyl ester IUPAC Name: methyl 2-[2-[(2-bromo-4,5-dimethoxyphenyl)methylsulfanyl]-4-oxoquinazolin-3-yl]acetate Traditional Name: 2-[2-[(2-bromo-4,5-dimethoxy-benzyl)thio]-4-keto-quinazolin-3-yl]acetic acid methyl ester Formula: C20H19BrN2O5S MolecularWeight: 479.34426

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C(=C1)CSC2=NC3=CC=CC=C3C(=O)N2CC(=O)OC)Br)OC

Isomeric SMILES

COC1=C(C=C(C(=C1)CSC2=NC3=CC=CC=C3C(=O)N2CC(=O)OC)Br)OC

InChI

InChI=1S/C20H19BrN2O5S/c1-26-16-8-12(14(21)9-17(16)27-2)11-29-20-22-15-7-5-4-6-13(15)19(25)23(20)10-18(24)28-3/h4-9H,10-11H2,1-3H3