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

Systemtic Name: [3-(cyanomethyl)-4-oxidanylidene-quinazolin-2-yl]methyl thiophene-3-carboxylate Openeye Name: [3-(cyanomethyl)-4-oxo-quinazolin-2-yl]methyl thiophene-3-carboxylate CAS Name: 3-thiophenecarboxylic acid [3-(cyanomethyl)-4-oxo-2-quinazolinyl]methyl ester IUPAC Name: [3-(cyanomethyl)-4-oxoquinazolin-2-yl]methyl thiophene-3-carboxylate Traditional Name: thiophene-3-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=CSC=C3)CC#N

Isomeric SMILES

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

InChI

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