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

Systemtic Name: ethyl 5-ethyl-2-[4-(4-oxidanylidenequinazolin-3-yl)butanoylamino]thiophene-3-carboxylate Openeye Name: ethyl 5-ethyl-2-[4-(4-oxoquinazolin-3-yl)butanoylamino]thiophene-3-carboxylate CAS Name: 5-ethyl-2-[[1-oxo-4-(4-oxo-3-quinazolinyl)butyl]amino]-3-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 5-ethyl-2-[4-(4-oxoquinazolin-3-yl)butanoylamino]thiophene-3-carboxylate Traditional Name: 5-ethyl-2-[4-(4-ketoquinazolin-3-yl)butanoylamino]thiophene-3-carboxylic acid ethyl ester Formula: C21H23N3O4S MolecularWeight: 413.49002

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC(=C(S1)NC(=O)CCCN2C=NC3=CC=CC=C3C2=O)C(=O)OCC

Isomeric SMILES

CCC1=CC(=C(S1)NC(=O)CCCN2C=NC3=CC=CC=C3C2=O)C(=O)OCC

InChI

InChI=1S/C21H23N3O4S/c1-3-14-12-16(21(27)28-4-2)19(29-14)23-18(25)10-7-11-24-13-22-17-9-6-5-8-15(17)20(24)26/h5-6,8-9,12-13H,3-4,7,10-11H2,1-2H3,(H,23,25)