[3-(cyanomethyl)-4-oxidanylidene-quinazolin-2-yl]methyl 5-methyl-4-propyl-thiophene-2-carboxylate

Systemtic Name: [3-(cyanomethyl)-4-oxidanylidene-quinazolin-2-yl]methyl 5-methyl-4-propyl-thiophene-2-carboxylate Openeye Name: [3-(cyanomethyl)-4-oxo-quinazolin-2-yl]methyl 5-methyl-4-propyl-thiophene-2-carboxylate CAS Name: 5-methyl-4-propyl-2-thiophenecarboxylic acid [3-(cyanomethyl)-4-oxo-2-quinazolinyl]methyl ester IUPAC Name: [3-(cyanomethyl)-4-oxoquinazolin-2-yl]methyl 5-methyl-4-propylthiophene-2-carboxylate Traditional Name: 5-methyl-4-propyl-thiophene-2-carboxylic acid [3-(cyanomethyl)-4-keto-quinazolin-2-yl]methyl ester Formula: C20H19N3O3S MolecularWeight: 381.44816

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=C(SC(=C1)C(=O)OCC2=NC3=CC=CC=C3C(=O)N2CC#N)C

Isomeric SMILES

CCCC1=C(SC(=C1)C(=O)OCC2=NC3=CC=CC=C3C(=O)N2CC#N)C

InChI

InChI=1S/C20H19N3O3S/c1-3-6-14-11-17(27-13(14)2)20(25)26-12-18-22-16-8-5-4-7-15(16)19(24)23(18)10-9-21/h4-5,7-8,11H,3,6,10,12H2,1-2H3