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

Systemtic Name: methyl 3-[2-(2-cyanoethylsulfanyl)-4-oxidanylidene-quinazolin-3-yl]propanoate Openeye Name: methyl 3-[2-(2-cyanoethylsulfanyl)-4-oxo-quinazolin-3-yl]propanoate CAS Name: 3-[2-(2-cyanoethylthio)-4-oxo-3-quinazolinyl]propanoic acid methyl ester IUPAC Name: methyl 3-[2-(2-cyanoethylsulfanyl)-4-oxoquinazolin-3-yl]propanoate Traditional Name: 3-[2-(2-cyanoethylthio)-4-keto-quinazolin-3-yl]propionic acid methyl ester Formula: C15H15N3O3S MolecularWeight: 317.3629

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CCN1C(=O)C2=CC=CC=C2N=C1SCCC#N

Isomeric SMILES

COC(=O)CCN1C(=O)C2=CC=CC=C2N=C1SCCC#N

InChI

InChI=1S/C15H15N3O3S/c1-21-13(19)7-9-18-14(20)11-5-2-3-6-12(11)17-15(18)22-10-4-8-16/h2-3,5-6H,4,7,9-10H2,1H3