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

Systemtic Name: methyl 4-[[3-(2-methoxy-2-oxidanylidene-ethyl)-4-oxidanylidene-quinazolin-2-yl]sulfanylmethyl]benzoate Openeye Name: methyl 4-[[3-(2-methoxy-2-oxo-ethyl)-4-oxo-quinazolin-2-yl]sulfanylmethyl]benzoate CAS Name: 4-[[[3-(2-methoxy-2-oxoethyl)-4-oxo-2-quinazolinyl]thio]methyl]benzoic acid methyl ester IUPAC Name: methyl 4-[[3-(2-methoxy-2-oxoethyl)-4-oxoquinazolin-2-yl]sulfanylmethyl]benzoate Traditional Name: 4-[[[4-keto-3-(2-keto-2-methoxy-ethyl)quinazolin-2-yl]thio]methyl]benzoic acid methyl ester Formula: C20H18N2O5S MolecularWeight: 398.43232

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CN1C(=O)C2=CC=CC=C2N=C1SCC3=CC=C(C=C3)C(=O)OC

Isomeric SMILES

COC(=O)CN1C(=O)C2=CC=CC=C2N=C1SCC3=CC=C(C=C3)C(=O)OC

InChI

InChI=1S/C20H18N2O5S/c1-26-17(23)11-22-18(24)15-5-3-4-6-16(15)21-20(22)28-12-13-7-9-14(10-8-13)19(25)27-2/h3-10H,11-12H2,1-2H3