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

Systemtic Name: methyl 3-[2-[(4-methylsulfanylphenyl)methylsulfanyl]-4-oxidanylidene-quinazolin-3-yl]propanoate Openeye Name: methyl 3-[2-[(4-methylsulfanylphenyl)methylsulfanyl]-4-oxo-quinazolin-3-yl]propanoate CAS Name: 3-[2-[[4-(methylthio)phenyl]methylthio]-4-oxo-3-quinazolinyl]propanoic acid methyl ester IUPAC Name: methyl 3-[2-[(4-methylsulfanylphenyl)methylsulfanyl]-4-oxoquinazolin-3-yl]propanoate Traditional Name: 3-[4-keto-2-[[4-(methylthio)benzyl]thio]quinazolin-3-yl]propionic acid methyl ester Formula: C20H20N2O3S2 MolecularWeight: 400.5144

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H20N2O3S2/c1-25-18(23)11-12-22-19(24)16-5-3-4-6-17(16)21-20(22)27-13-14-7-9-15(26-2)10-8-14/h3-10H,11-13H2,1-2H3