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

Systemtic Name: methyl 3-[2-(cyanomethylsulfanyl)-4-oxidanylidene-quinazolin-3-yl]propanoate Openeye Name: methyl 3-[2-(cyanomethylsulfanyl)-4-oxo-quinazolin-3-yl]propanoate CAS Name: 3-[2-(cyanomethylthio)-4-oxo-3-quinazolinyl]propanoic acid methyl ester IUPAC Name: methyl 3-[2-(cyanomethylsulfanyl)-4-oxoquinazolin-3-yl]propanoate Traditional Name: 3-[2-(cyanomethylthio)-4-keto-quinazolin-3-yl]propionic acid methyl ester Formula: C14H13N3O3S MolecularWeight: 303.33632

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CCN1C(=O)C2=CC=CC=C2N=C1SCC#N

Isomeric SMILES

COC(=O)CCN1C(=O)C2=CC=CC=C2N=C1SCC#N

InChI

InChI=1S/C14H13N3O3S/c1-20-12(18)6-8-17-13(19)10-4-2-3-5-11(10)16-14(17)21-9-7-15/h2-5H,6,8-9H2,1H3