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

Systemtic Name: [3-(cyanomethyl)-4-oxidanylidene-quinazolin-2-yl]methyl 2-acetamido-4,5-dimethyl-thiophene-3-carboxylate Openeye Name: [3-(cyanomethyl)-4-oxo-quinazolin-2-yl]methyl 2-acetamido-4,5-dimethyl-thiophene-3-carboxylate CAS Name: 2-acetamido-4,5-dimethyl-3-thiophenecarboxylic acid [3-(cyanomethyl)-4-oxo-2-quinazolinyl]methyl ester IUPAC Name: [3-(cyanomethyl)-4-oxoquinazolin-2-yl]methyl 2-acetamido-4,5-dimethylthiophene-3-carboxylate Traditional Name: 2-acetamido-4,5-dimethyl-thiophene-3-carboxylic acid [3-(cyanomethyl)-4-keto-quinazolin-2-yl]methyl ester Formula: C20H18N4O4S MolecularWeight: 410.44632

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC(=C1C(=O)OCC2=NC3=CC=CC=C3C(=O)N2CC#N)NC(=O)C)C

Isomeric SMILES

CC1=C(SC(=C1C(=O)OCC2=NC3=CC=CC=C3C(=O)N2CC#N)NC(=O)C)C

InChI

InChI=1S/C20H18N4O4S/c1-11-12(2)29-18(22-13(3)25)17(11)20(27)28-10-16-23-15-7-5-4-6-14(15)19(26)24(16)9-8-21/h4-7H,9-10H2,1-3H3,(H,22,25)