ethyl 2-[3-(4-oxidanylidenequinazolin-3-yl)propanoylamino]-4-phenyl-thiophene-3-carboxylate

Systemtic Name: ethyl 2-[3-(4-oxidanylidenequinazolin-3-yl)propanoylamino]-4-phenyl-thiophene-3-carboxylate Openeye Name: ethyl 2-[3-(4-oxoquinazolin-3-yl)propanoylamino]-4-phenyl-thiophene-3-carboxylate CAS Name: 2-[[1-oxo-3-(4-oxo-3-quinazolinyl)propyl]amino]-4-phenyl-3-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 2-[3-(4-oxoquinazolin-3-yl)propanoylamino]-4-phenylthiophene-3-carboxylate Traditional Name: 2-[3-(4-ketoquinazolin-3-yl)propanoylamino]-4-phenyl-thiophene-3-carboxylic acid ethyl ester Formula: C24H21N3O4S MolecularWeight: 447.50624

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(SC=C1C2=CC=CC=C2)NC(=O)CCN3C=NC4=CC=CC=C4C3=O

Isomeric SMILES

CCOC(=O)C1=C(SC=C1C2=CC=CC=C2)NC(=O)CCN3C=NC4=CC=CC=C4C3=O

InChI

InChI=1S/C24H21N3O4S/c1-2-31-24(30)21-18(16-8-4-3-5-9-16)14-32-22(21)26-20(28)12-13-27-15-25-19-11-7-6-10-17(19)23(27)29/h3-11,14-15H,2,12-13H2,1H3,(H,26,28)