methyl 3-(6-bromanyl-4-oxidanylidene-3-phenyl-quinazolin-2-yl)sulfanylpropanoate

Systemtic Name: methyl 3-(6-bromanyl-4-oxidanylidene-3-phenyl-quinazolin-2-yl)sulfanylpropanoate Openeye Name: methyl 3-(6-bromo-4-oxo-3-phenyl-quinazolin-2-yl)sulfanylpropanoate CAS Name: 3-[(6-bromo-4-oxo-3-phenyl-2-quinazolinyl)thio]propanoic acid methyl ester IUPAC Name: methyl 3-(6-bromo-4-oxo-3-phenylquinazolin-2-yl)sulfanylpropanoate Traditional Name: 3-[(6-bromo-4-keto-3-phenyl-quinazolin-2-yl)thio]propionic acid methyl ester Formula: C18H15BrN2O3S MolecularWeight: 419.2923

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CCSC1=NC2=C(C=C(C=C2)Br)C(=O)N1C3=CC=CC=C3

Isomeric SMILES

COC(=O)CCSC1=NC2=C(C=C(C=C2)Br)C(=O)N1C3=CC=CC=C3

InChI

InChI=1S/C18H15BrN2O3S/c1-24-16(22)9-10-25-18-20-15-8-7-12(19)11-14(15)17(23)21(18)13-5-3-2-4-6-13/h2-8,11H,9-10H2,1H3