ethyl 2-[2-(7-fluoranyl-4-oxidanylidene-quinazolin-3-yl)ethanoylamino]-4-(2-methylpropyl)thiophene-3-carboxylate

Systemtic Name: ethyl 2-[2-(7-fluoranyl-4-oxidanylidene-quinazolin-3-yl)ethanoylamino]-4-(2-methylpropyl)thiophene-3-carboxylate Openeye Name: ethyl 2-[[2-(7-fluoro-4-oxo-quinazolin-3-yl)acetyl]amino]-4-isobutyl-thiophene-3-carboxylate CAS Name: 2-[[2-(7-fluoro-4-oxo-3-quinazolinyl)-1-oxoethyl]amino]-4-(2-methylpropyl)-3-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 2-[[2-(7-fluoro-4-oxoquinazolin-3-yl)acetyl]amino]-4-(2-methylpropyl)thiophene-3-carboxylate Traditional Name: 2-[[2-(7-fluoro-4-keto-quinazolin-3-yl)acetyl]amino]-4-isobutyl-thiophene-3-carboxylic acid ethyl ester Formula: C21H22FN3O4S MolecularWeight: 431.480483

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(SC=C1CC(C)C)NC(=O)CN2C=NC3=C(C2=O)C=CC(=C3)F

Isomeric SMILES

CCOC(=O)C1=C(SC=C1CC(C)C)NC(=O)CN2C=NC3=C(C2=O)C=CC(=C3)F

InChI

InChI=1S/C21H22FN3O4S/c1-4-29-21(28)18-13(7-12(2)3)10-30-19(18)24-17(26)9-25-11-23-16-8-14(22)5-6-15(16)20(25)27/h5-6,8,10-12H,4,7,9H2,1-3H3,(H,24,26)