ethyl 2-[3-(6-bromanyl-4-oxidanylidene-quinazolin-3-yl)propanoylamino]-4,5-dimethyl-thiophene-3-carboxylate

Systemtic Name: ethyl 2-[3-(6-bromanyl-4-oxidanylidene-quinazolin-3-yl)propanoylamino]-4,5-dimethyl-thiophene-3-carboxylate Openeye Name: ethyl 2-[3-(6-bromo-4-oxo-quinazolin-3-yl)propanoylamino]-4,5-dimethyl-thiophene-3-carboxylate CAS Name: 2-[[3-(6-bromo-4-oxo-3-quinazolinyl)-1-oxopropyl]amino]-4,5-dimethyl-3-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 2-[3-(6-bromo-4-oxoquinazolin-3-yl)propanoylamino]-4,5-dimethylthiophene-3-carboxylate Traditional Name: 2-[3-(6-bromo-4-keto-quinazolin-3-yl)propanoylamino]-4,5-dimethyl-thiophene-3-carboxylic acid ethyl ester Formula: C20H20BrN3O4S MolecularWeight: 478.3595

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(SC(=C1C)C)NC(=O)CCN2C=NC3=C(C2=O)C=C(C=C3)Br

Isomeric SMILES

CCOC(=O)C1=C(SC(=C1C)C)NC(=O)CCN2C=NC3=C(C2=O)C=C(C=C3)Br

InChI

InChI=1S/C20H20BrN3O4S/c1-4-28-20(27)17-11(2)12(3)29-18(17)23-16(25)7-8-24-10-22-15-6-5-13(21)9-14(15)19(24)26/h5-6,9-10H,4,7-8H2,1-3H3,(H,23,25)