[3-(cyanomethyl)-4-oxidanylidene-quinazolin-2-yl]methyl 3-chloranyl-1-benzothiophene-2-carboxylate

Systemtic Name: [3-(cyanomethyl)-4-oxidanylidene-quinazolin-2-yl]methyl 3-chloranyl-1-benzothiophene-2-carboxylate Openeye Name: [3-(cyanomethyl)-4-oxo-quinazolin-2-yl]methyl 3-chlorobenzothiophene-2-carboxylate CAS Name: 3-chloro-1-benzothiophene-2-carboxylic acid [3-(cyanomethyl)-4-oxo-2-quinazolinyl]methyl ester IUPAC Name: [3-(cyanomethyl)-4-oxoquinazolin-2-yl]methyl 3-chloro-1-benzothiophene-2-carboxylate Traditional Name: 3-chlorobenzothiophene-2-carboxylic acid [3-(cyanomethyl)-4-keto-quinazolin-2-yl]methyl ester Formula: C20H12ClN3O3S MolecularWeight: 409.84558

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=O)N(C(=N2)COC(=O)C3=C(C4=CC=CC=C4S3)Cl)CC#N

Isomeric SMILES

C1=CC=C2C(=C1)C(=O)N(C(=N2)COC(=O)C3=C(C4=CC=CC=C4S3)Cl)CC#N

InChI

InChI=1S/C20H12ClN3O3S/c21-17-13-6-2-4-8-15(13)28-18(17)20(26)27-11-16-23-14-7-3-1-5-12(14)19(25)24(16)10-9-22/h1-8H,10-11H2