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

Systemtic Name: methyl 2-[2-(2-cyanoethylsulfanyl)-4-oxidanylidene-quinazolin-3-yl]ethanoate Openeye Name: methyl 2-[2-(2-cyanoethylsulfanyl)-4-oxo-quinazolin-3-yl]acetate CAS Name: 2-[2-(2-cyanoethylthio)-4-oxo-3-quinazolinyl]acetic acid methyl ester IUPAC Name: methyl 2-[2-(2-cyanoethylsulfanyl)-4-oxoquinazolin-3-yl]acetate Traditional Name: 2-[2-(2-cyanoethylthio)-4-keto-quinazolin-3-yl]acetic acid methyl ester Formula: C14H13N3O3S MolecularWeight: 303.33632

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CN1C(=O)C2=CC=CC=C2N=C1SCCC#N

Isomeric SMILES

COC(=O)CN1C(=O)C2=CC=CC=C2N=C1SCCC#N

InChI

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