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

Systemtic Name: methyl 3-[2-(3-cyanopropylsulfanyl)-4-oxidanylidene-quinazolin-3-yl]propanoate Openeye Name: methyl 3-[2-(3-cyanopropylsulfanyl)-4-oxo-quinazolin-3-yl]propanoate CAS Name: 3-[2-(3-cyanopropylthio)-4-oxo-3-quinazolinyl]propanoic acid methyl ester IUPAC Name: methyl 3-[2-(3-cyanopropylsulfanyl)-4-oxoquinazolin-3-yl]propanoate Traditional Name: 3-[2-(3-cyanopropylthio)-4-keto-quinazolin-3-yl]propionic acid methyl ester Formula: C16H17N3O3S MolecularWeight: 331.38948

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CCN1C(=O)C2=CC=CC=C2N=C1SCCCC#N

Isomeric SMILES

COC(=O)CCN1C(=O)C2=CC=CC=C2N=C1SCCCC#N

InChI

InChI=1S/C16H17N3O3S/c1-22-14(20)8-10-19-15(21)12-6-2-3-7-13(12)18-16(19)23-11-5-4-9-17/h2-3,6-7H,4-5,8,10-11H2,1H3