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

Systemtic Name: methyl 3-[2-[(4-cyanophenyl)methylsulfanyl]-4-oxidanylidene-quinazolin-3-yl]propanoate Openeye Name: methyl 3-[2-[(4-cyanophenyl)methylsulfanyl]-4-oxo-quinazolin-3-yl]propanoate CAS Name: 3-[2-[(4-cyanophenyl)methylthio]-4-oxo-3-quinazolinyl]propanoic acid methyl ester IUPAC Name: methyl 3-[2-[(4-cyanophenyl)methylsulfanyl]-4-oxoquinazolin-3-yl]propanoate Traditional Name: 3-[2-[(4-cyanobenzyl)thio]-4-keto-quinazolin-3-yl]propionic acid methyl ester Formula: C20H17N3O3S MolecularWeight: 379.43228

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CCN1C(=O)C2=CC=CC=C2N=C1SCC3=CC=C(C=C3)C#N

Isomeric SMILES

COC(=O)CCN1C(=O)C2=CC=CC=C2N=C1SCC3=CC=C(C=C3)C#N

InChI

InChI=1S/C20H17N3O3S/c1-26-18(24)10-11-23-19(25)16-4-2-3-5-17(16)22-20(23)27-13-15-8-6-14(12-21)7-9-15/h2-9H,10-11,13H2,1H3