2-[3-(3-methoxy-3-oxidanylidene-propyl)-4-oxidanylidene-quinazolin-2-yl]sulfanylethyl benzoate

Systemtic Name: 2-[3-(3-methoxy-3-oxidanylidene-propyl)-4-oxidanylidene-quinazolin-2-yl]sulfanylethyl benzoate Openeye Name: 2-[3-(3-methoxy-3-oxo-propyl)-4-oxo-quinazolin-2-yl]sulfanylethyl benzoate CAS Name: benzoic acid 2-[[3-(3-methoxy-3-oxopropyl)-4-oxo-2-quinazolinyl]thio]ethyl ester IUPAC Name: 2-[3-(3-methoxy-3-oxopropyl)-4-oxoquinazolin-2-yl]sulfanylethyl benzoate Traditional Name: benzoic acid 2-[[4-keto-3-(3-keto-3-methoxy-propyl)quinazolin-2-yl]thio]ethyl ester Formula: C21H20N2O5S MolecularWeight: 412.4589

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CCN1C(=O)C2=CC=CC=C2N=C1SCCOC(=O)C3=CC=CC=C3

Isomeric SMILES

COC(=O)CCN1C(=O)C2=CC=CC=C2N=C1SCCOC(=O)C3=CC=CC=C3

InChI

InChI=1S/C21H20N2O5S/c1-27-18(24)11-12-23-19(25)16-9-5-6-10-17(16)22-21(23)29-14-13-28-20(26)15-7-3-2-4-8-15/h2-10H,11-14H2,1H3