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

Systemtic Name: ethyl 4-methyl-5-(methylcarbamoyl)-2-[4-(4-oxidanylidenequinazolin-3-yl)butanoylamino]thiophene-3-carboxylate Openeye Name: ethyl 4-methyl-5-(methylcarbamoyl)-2-[4-(4-oxoquinazolin-3-yl)butanoylamino]thiophene-3-carboxylate CAS Name: 4-methyl-5-(methylcarbamoyl)-2-[[1-oxo-4-(4-oxo-3-quinazolinyl)butyl]amino]-3-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 4-methyl-5-(methylcarbamoyl)-2-[4-(4-oxoquinazolin-3-yl)butanoylamino]thiophene-3-carboxylate Traditional Name: 2-[4-(4-ketoquinazolin-3-yl)butanoylamino]-4-methyl-5-(methylcarbamoyl)thiophene-3-carboxylic acid ethyl ester Formula: C22H24N4O5S MolecularWeight: 456.51476

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(SC(=C1C)C(=O)NC)NC(=O)CCCN2C=NC3=CC=CC=C3C2=O

Isomeric SMILES

CCOC(=O)C1=C(SC(=C1C)C(=O)NC)NC(=O)CCCN2C=NC3=CC=CC=C3C2=O

InChI

InChI=1S/C22H24N4O5S/c1-4-31-22(30)17-13(2)18(19(28)23-3)32-20(17)25-16(27)10-7-11-26-12-24-15-9-6-5-8-14(15)21(26)29/h5-6,8-9,12H,4,7,10-11H2,1-3H3,(H,23,28)(H,25,27)