methyl 2-[2-(cyanomethylsulfanyl)-4-oxidanylidene-quinazolin-3-yl]ethanoate

Systemtic Name: methyl 2-[2-(cyanomethylsulfanyl)-4-oxidanylidene-quinazolin-3-yl]ethanoate Openeye Name: methyl 2-[2-(cyanomethylsulfanyl)-4-oxo-quinazolin-3-yl]acetate CAS Name: 2-[2-(cyanomethylthio)-4-oxo-3-quinazolinyl]acetic acid methyl ester IUPAC Name: methyl 2-[2-(cyanomethylsulfanyl)-4-oxoquinazolin-3-yl]acetate Traditional Name: 2-[2-(cyanomethylthio)-4-keto-quinazolin-3-yl]acetic acid methyl ester Formula: C13H11N3O3S MolecularWeight: 289.30974

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CN1C(=O)C2=CC=CC=C2N=C1SCC#N

Isomeric SMILES

COC(=O)CN1C(=O)C2=CC=CC=C2N=C1SCC#N

InChI

InChI=1S/C13H11N3O3S/c1-19-11(17)8-16-12(18)9-4-2-3-5-10(9)15-13(16)20-7-6-14/h2-5H,7-8H2,1H3