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

Systemtic Name: methyl 2-(6-bromanyl-4-oxidanylidene-3-propyl-quinazolin-2-yl)sulfanylpropanoate Openeye Name: methyl 2-(6-bromo-4-oxo-3-propyl-quinazolin-2-yl)sulfanylpropanoate CAS Name: 2-[(6-bromo-4-oxo-3-propyl-2-quinazolinyl)thio]propanoic acid methyl ester IUPAC Name: methyl 2-(6-bromo-4-oxo-3-propylquinazolin-2-yl)sulfanylpropanoate Traditional Name: 2-[(6-bromo-4-keto-3-propyl-quinazolin-2-yl)thio]propionic acid methyl ester Formula: C15H17BrN2O3S MolecularWeight: 385.27608

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Descriptors Computed from Structure

Canonical SMILES:

CCCN1C(=O)C2=C(C=CC(=C2)Br)N=C1SC(C)C(=O)OC

Isomeric SMILES

CCCN1C(=O)C2=C(C=CC(=C2)Br)N=C1SC(C)C(=O)OC

InChI

InChI=1S/C15H17BrN2O3S/c1-4-7-18-13(19)11-8-10(16)5-6-12(11)17-15(18)22-9(2)14(20)21-3/h5-6,8-9H,4,7H2,1-3H3