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

Systemtic Name: methyl 2-[2-[(2-nitrophenyl)methylsulfanyl]-4-oxidanylidene-quinazolin-3-yl]ethanoate Openeye Name: methyl 2-[2-[(2-nitrophenyl)methylsulfanyl]-4-oxo-quinazolin-3-yl]acetate CAS Name: 2-[2-[(2-nitrophenyl)methylthio]-4-oxo-3-quinazolinyl]acetic acid methyl ester IUPAC Name: methyl 2-[2-[(2-nitrophenyl)methylsulfanyl]-4-oxoquinazolin-3-yl]acetate Traditional Name: 2-[4-keto-2-[(2-nitrobenzyl)thio]quinazolin-3-yl]acetic acid methyl ester Formula: C18H15N3O5S MolecularWeight: 385.3938

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CN1C(=O)C2=CC=CC=C2N=C1SCC3=CC=CC=C3[N+](=O)[O-]

Isomeric SMILES

COC(=O)CN1C(=O)C2=CC=CC=C2N=C1SCC3=CC=CC=C3[N+](=O)[O-]

InChI

InChI=1S/C18H15N3O5S/c1-26-16(22)10-20-17(23)13-7-3-4-8-14(13)19-18(20)27-11-12-6-2-5-9-15(12)21(24)25/h2-9H,10-11H2,1H3