methyl 3-[3-(6-bromanyl-4-oxidanylidene-quinazolin-3-yl)propanoylamino]thiophene-2-carboxylate

Systemtic Name: methyl 3-[3-(6-bromanyl-4-oxidanylidene-quinazolin-3-yl)propanoylamino]thiophene-2-carboxylate Openeye Name: methyl 3-[3-(6-bromo-4-oxo-quinazolin-3-yl)propanoylamino]thiophene-2-carboxylate CAS Name: 3-[[3-(6-bromo-4-oxo-3-quinazolinyl)-1-oxopropyl]amino]-2-thiophenecarboxylic acid methyl ester IUPAC Name: methyl 3-[3-(6-bromo-4-oxoquinazolin-3-yl)propanoylamino]thiophene-2-carboxylate Traditional Name: 3-[3-(6-bromo-4-keto-quinazolin-3-yl)propanoylamino]thiophene-2-carboxylic acid methyl ester Formula: C17H14BrN3O4S MolecularWeight: 436.27976

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=C(C=CS1)NC(=O)CCN2C=NC3=C(C2=O)C=C(C=C3)Br

Isomeric SMILES

COC(=O)C1=C(C=CS1)NC(=O)CCN2C=NC3=C(C2=O)C=C(C=C3)Br

InChI

InChI=1S/C17H14BrN3O4S/c1-25-17(24)15-13(5-7-26-15)20-14(22)4-6-21-9-19-12-3-2-10(18)8-11(12)16(21)23/h2-3,5,7-9H,4,6H2,1H3,(H,20,22)