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

Systemtic Name: methyl 3-[2-(6-bromanyl-4-oxidanylidene-quinazolin-3-yl)ethanoylamino]thiophene-2-carboxylate Openeye Name: methyl 3-[[2-(6-bromo-4-oxo-quinazolin-3-yl)acetyl]amino]thiophene-2-carboxylate CAS Name: 3-[[2-(6-bromo-4-oxo-3-quinazolinyl)-1-oxoethyl]amino]-2-thiophenecarboxylic acid methyl ester IUPAC Name: methyl 3-[[2-(6-bromo-4-oxoquinazolin-3-yl)acetyl]amino]thiophene-2-carboxylate Traditional Name: 3-[[2-(6-bromo-4-keto-quinazolin-3-yl)acetyl]amino]thiophene-2-carboxylic acid methyl ester Formula: C16H12BrN3O4S MolecularWeight: 422.25318

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=C(C=CS1)NC(=O)CN2C=NC3=C(C2=O)C=C(C=C3)Br

Isomeric SMILES

COC(=O)C1=C(C=CS1)NC(=O)CN2C=NC3=C(C2=O)C=C(C=C3)Br

InChI

InChI=1S/C16H12BrN3O4S/c1-24-16(23)14-12(4-5-25-14)19-13(21)7-20-8-18-11-3-2-9(17)6-10(11)15(20)22/h2-6,8H,7H2,1H3,(H,19,21)