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

Systemtic Name: methyl 2-(6-bromanyl-4-oxidanylidene-3-propyl-quinazolin-2-yl)sulfanylethanoate Openeye Name: methyl 2-(6-bromo-4-oxo-3-propyl-quinazolin-2-yl)sulfanylacetate CAS Name: 2-[(6-bromo-4-oxo-3-propyl-2-quinazolinyl)thio]acetic acid methyl ester IUPAC Name: methyl 2-(6-bromo-4-oxo-3-propylquinazolin-2-yl)sulfanylacetate Traditional Name: 2-[(6-bromo-4-keto-3-propyl-quinazolin-2-yl)thio]acetic acid methyl ester Formula: C14H15BrN2O3S MolecularWeight: 371.2495

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Descriptors Computed from Structure

Canonical SMILES:

CCCN1C(=O)C2=C(C=CC(=C2)Br)N=C1SCC(=O)OC

Isomeric SMILES

CCCN1C(=O)C2=C(C=CC(=C2)Br)N=C1SCC(=O)OC

InChI

InChI=1S/C14H15BrN2O3S/c1-3-6-17-13(19)10-7-9(15)4-5-11(10)16-14(17)21-8-12(18)20-2/h4-5,7H,3,6,8H2,1-2H3