[3-(cyanomethyl)-4-oxidanylidene-quinazolin-2-yl]methyl 1,3-benzothiazole-6-carboxylate

Systemtic Name: [3-(cyanomethyl)-4-oxidanylidene-quinazolin-2-yl]methyl 1,3-benzothiazole-6-carboxylate Openeye Name: [3-(cyanomethyl)-4-oxo-quinazolin-2-yl]methyl 1,3-benzothiazole-6-carboxylate CAS Name: 1,3-benzothiazole-6-carboxylic acid [3-(cyanomethyl)-4-oxo-2-quinazolinyl]methyl ester IUPAC Name: [3-(cyanomethyl)-4-oxoquinazolin-2-yl]methyl 1,3-benzothiazole-6-carboxylate Traditional Name: 1,3-benzothiazole-6-carboxylic acid [3-(cyanomethyl)-4-keto-quinazolin-2-yl]methyl ester Formula: C19H12N4O3S MolecularWeight: 376.38858

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=O)N(C(=N2)COC(=O)C3=CC4=C(C=C3)N=CS4)CC#N

Isomeric SMILES

C1=CC=C2C(=C1)C(=O)N(C(=N2)COC(=O)C3=CC4=C(C=C3)N=CS4)CC#N

InChI

InChI=1S/C19H12N4O3S/c20-7-8-23-17(22-14-4-2-1-3-13(14)18(23)24)10-26-19(25)12-5-6-15-16(9-12)27-11-21-15/h1-6,9,11H,8,10H2