ethyl 4-(2-methylpropyl)-2-[2-(4-oxidanylidenequinazolin-3-yl)ethanoylamino]thiophene-3-carboxylate

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

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(SC=C1CC(C)C)NC(=O)CN2C=NC3=CC=CC=C3C2=O

Isomeric SMILES

CCOC(=O)C1=C(SC=C1CC(C)C)NC(=O)CN2C=NC3=CC=CC=C3C2=O

InChI

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