[3-(cyanomethyl)-4-oxidanylidene-quinazolin-2-yl]methyl thiophene-2-carboxylate

Systemtic Name: [3-(cyanomethyl)-4-oxidanylidene-quinazolin-2-yl]methyl thiophene-2-carboxylate Openeye Name: [3-(cyanomethyl)-4-oxo-quinazolin-2-yl]methyl thiophene-2-carboxylate CAS Name: 2-thiophenecarboxylic acid [3-(cyanomethyl)-4-oxo-2-quinazolinyl]methyl ester IUPAC Name: [3-(cyanomethyl)-4-oxoquinazolin-2-yl]methyl thiophene-2-carboxylate Traditional Name: thiophene-2-carboxylic acid [3-(cyanomethyl)-4-keto-quinazolin-2-yl]methyl ester Formula: C16H11N3O3S MolecularWeight: 325.34184

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=O)N(C(=N2)COC(=O)C3=CC=CS3)CC#N

Isomeric SMILES

C1=CC=C2C(=C1)C(=O)N(C(=N2)COC(=O)C3=CC=CS3)CC#N

InChI

InChI=1S/C16H11N3O3S/c17-7-8-19-14(10-22-16(21)13-6-3-9-23-13)18-12-5-2-1-4-11(12)15(19)20/h1-6,9H,8,10H2