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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H20N2O5S/c1-27-18(24)11-12-23-19(25)16-5-3-4-6-17(16)22-21(23)29-13-14-7-9-15(10-8-14)20(26)28-2/h3-10H,11-13H2,1-2H3