[3-(cyanomethyl)-4-oxidanylidene-quinazolin-2-yl]methyl 5,6-dihydro-4H-cyclopenta[b]thiophene-2-carboxylate

Systemtic Name: [3-(cyanomethyl)-4-oxidanylidene-quinazolin-2-yl]methyl 5,6-dihydro-4H-cyclopenta[b]thiophene-2-carboxylate Openeye Name: [3-(cyanomethyl)-4-oxo-quinazolin-2-yl]methyl 5,6-dihydro-4H-cyclopenta[b]thiophene-2-carboxylate CAS Name: 5,6-dihydro-4H-cyclopenta[b]thiophene-2-carboxylic acid [3-(cyanomethyl)-4-oxo-2-quinazolinyl]methyl ester IUPAC Name: [3-(cyanomethyl)-4-oxoquinazolin-2-yl]methyl 5,6-dihydro-4H-cyclopenta[b]thiophene-2-carboxylate Traditional Name: 5,6-dihydro-4H-cyclopenta[b]thiophene-2-carboxylic acid [3-(cyanomethyl)-4-keto-quinazolin-2-yl]methyl ester Formula: C19H15N3O3S MolecularWeight: 365.4057

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Descriptors Computed from Structure

Canonical SMILES:

C1CC2=C(C1)SC(=C2)C(=O)OCC3=NC4=CC=CC=C4C(=O)N3CC#N

Isomeric SMILES

C1CC2=C(C1)SC(=C2)C(=O)OCC3=NC4=CC=CC=C4C(=O)N3CC#N

InChI

InChI=1S/C19H15N3O3S/c20-8-9-22-17(21-14-6-2-1-5-13(14)18(22)23)11-25-19(24)16-10-12-4-3-7-15(12)26-16/h1-2,5-6,10H,3-4,7,9,11H2