[3-(cyanomethyl)-4-oxidanylidene-quinazolin-2-yl]methyl 2-chloranyl-5-methylsulfanyl-benzoate

Systemtic Name: [3-(cyanomethyl)-4-oxidanylidene-quinazolin-2-yl]methyl 2-chloranyl-5-methylsulfanyl-benzoate Openeye Name: [3-(cyanomethyl)-4-oxo-quinazolin-2-yl]methyl 2-chloro-5-methylsulfanyl-benzoate CAS Name: 2-chloro-5-(methylthio)benzoic acid [3-(cyanomethyl)-4-oxo-2-quinazolinyl]methyl ester IUPAC Name: [3-(cyanomethyl)-4-oxoquinazolin-2-yl]methyl 2-chloro-5-methylsulfanylbenzoate Traditional Name: 2-chloro-5-(methylthio)benzoic acid [3-(cyanomethyl)-4-keto-quinazolin-2-yl]methyl ester Formula: C19H14ClN3O3S MolecularWeight: 399.85076

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=CC(=C(C=C1)Cl)C(=O)OCC2=NC3=CC=CC=C3C(=O)N2CC#N

Isomeric SMILES

CSC1=CC(=C(C=C1)Cl)C(=O)OCC2=NC3=CC=CC=C3C(=O)N2CC#N

InChI

InChI=1S/C19H14ClN3O3S/c1-27-12-6-7-15(20)14(10-12)19(25)26-11-17-22-16-5-3-2-4-13(16)18(24)23(17)9-8-21/h2-7,10H,9,11H2,1H3