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

Systemtic Name: methyl 3-[2-[(2-nitrophenyl)methylsulfanyl]-4-oxidanylidene-quinazolin-3-yl]propanoate Openeye Name: methyl 3-[2-[(2-nitrophenyl)methylsulfanyl]-4-oxo-quinazolin-3-yl]propanoate CAS Name: 3-[2-[(2-nitrophenyl)methylthio]-4-oxo-3-quinazolinyl]propanoic acid methyl ester IUPAC Name: methyl 3-[2-[(2-nitrophenyl)methylsulfanyl]-4-oxoquinazolin-3-yl]propanoate Traditional Name: 3-[4-keto-2-[(2-nitrobenzyl)thio]quinazolin-3-yl]propionic acid methyl ester Formula: C19H17N3O5S MolecularWeight: 399.42038

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CCN1C(=O)C2=CC=CC=C2N=C1SCC3=CC=CC=C3[N+](=O)[O-]

Isomeric SMILES

COC(=O)CCN1C(=O)C2=CC=CC=C2N=C1SCC3=CC=CC=C3[N+](=O)[O-]

InChI

InChI=1S/C19H17N3O5S/c1-27-17(23)10-11-21-18(24)14-7-3-4-8-15(14)20-19(21)28-12-13-6-2-5-9-16(13)22(25)26/h2-9H,10-12H2,1H3