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

Systemtic Name: methyl 3-[2-[(2-bromanyl-4,5-dimethoxy-phenyl)methylsulfanyl]-4-oxidanylidene-quinazolin-3-yl]propanoate Openeye Name: methyl 3-[2-[(2-bromo-4,5-dimethoxy-phenyl)methylsulfanyl]-4-oxo-quinazolin-3-yl]propanoate CAS Name: 3-[2-[(2-bromo-4,5-dimethoxyphenyl)methylthio]-4-oxo-3-quinazolinyl]propanoic acid methyl ester IUPAC Name: methyl 3-[2-[(2-bromo-4,5-dimethoxyphenyl)methylsulfanyl]-4-oxoquinazolin-3-yl]propanoate Traditional Name: 3-[2-[(2-bromo-4,5-dimethoxy-benzyl)thio]-4-keto-quinazolin-3-yl]propionic acid methyl ester Formula: C21H21BrN2O5S MolecularWeight: 493.37084

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C(=C1)CSC2=NC3=CC=CC=C3C(=O)N2CCC(=O)OC)Br)OC

Isomeric SMILES

COC1=C(C=C(C(=C1)CSC2=NC3=CC=CC=C3C(=O)N2CCC(=O)OC)Br)OC

InChI

InChI=1S/C21H21BrN2O5S/c1-27-17-10-13(15(22)11-18(17)28-2)12-30-21-23-16-7-5-4-6-14(16)20(26)24(21)9-8-19(25)29-3/h4-7,10-11H,8-9,12H2,1-3H3