ethyl 5-ethyl-2-[3-(4-oxidanylidenequinazolin-3-yl)propanoylamino]thiophene-3-carboxylate

Systemtic Name: ethyl 5-ethyl-2-[3-(4-oxidanylidenequinazolin-3-yl)propanoylamino]thiophene-3-carboxylate Openeye Name: ethyl 5-ethyl-2-[3-(4-oxoquinazolin-3-yl)propanoylamino]thiophene-3-carboxylate CAS Name: 5-ethyl-2-[[1-oxo-3-(4-oxo-3-quinazolinyl)propyl]amino]-3-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 5-ethyl-2-[3-(4-oxoquinazolin-3-yl)propanoylamino]thiophene-3-carboxylate Traditional Name: 5-ethyl-2-[3-(4-ketoquinazolin-3-yl)propanoylamino]thiophene-3-carboxylic acid ethyl ester Formula: C20H21N3O4S MolecularWeight: 399.46344

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC(=C(S1)NC(=O)CCN2C=NC3=CC=CC=C3C2=O)C(=O)OCC

Isomeric SMILES

CCC1=CC(=C(S1)NC(=O)CCN2C=NC3=CC=CC=C3C2=O)C(=O)OCC

InChI

InChI=1S/C20H21N3O4S/c1-3-13-11-15(20(26)27-4-2)18(28-13)22-17(24)9-10-23-12-21-16-8-6-5-7-14(16)19(23)25/h5-8,11-12H,3-4,9-10H2,1-2H3,(H,22,24)