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

Systemtic Name: [3-(cyanomethyl)-4-oxidanylidene-quinazolin-2-yl]methyl 4-ethyl-5-methyl-thiophene-2-carboxylate Openeye Name: [3-(cyanomethyl)-4-oxo-quinazolin-2-yl]methyl 4-ethyl-5-methyl-thiophene-2-carboxylate CAS Name: 4-ethyl-5-methyl-2-thiophenecarboxylic acid [3-(cyanomethyl)-4-oxo-2-quinazolinyl]methyl ester IUPAC Name: [3-(cyanomethyl)-4-oxoquinazolin-2-yl]methyl 4-ethyl-5-methylthiophene-2-carboxylate Traditional Name: 4-ethyl-5-methyl-thiophene-2-carboxylic acid [3-(cyanomethyl)-4-keto-quinazolin-2-yl]methyl ester Formula: C19H17N3O3S MolecularWeight: 367.42158

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(SC(=C1)C(=O)OCC2=NC3=CC=CC=C3C(=O)N2CC#N)C

Isomeric SMILES

CCC1=C(SC(=C1)C(=O)OCC2=NC3=CC=CC=C3C(=O)N2CC#N)C

InChI

InChI=1S/C19H17N3O3S/c1-3-13-10-16(26-12(13)2)19(24)25-11-17-21-15-7-5-4-6-14(15)18(23)22(17)9-8-20/h4-7,10H,3,9,11H2,1-2H3