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

Systemtic Name: methyl 3-[[3-(2-methoxyethyl)-4-oxidanylidene-quinazolin-2-yl]sulfanylmethyl]benzoate Openeye Name: methyl 3-[[3-(2-methoxyethyl)-4-oxo-quinazolin-2-yl]sulfanylmethyl]benzoate CAS Name: 3-[[[3-(2-methoxyethyl)-4-oxo-2-quinazolinyl]thio]methyl]benzoic acid methyl ester IUPAC Name: methyl 3-[[3-(2-methoxyethyl)-4-oxoquinazolin-2-yl]sulfanylmethyl]benzoate Traditional Name: 3-[[[4-keto-3-(2-methoxyethyl)quinazolin-2-yl]thio]methyl]benzoic acid methyl ester Formula: C20H20N2O4S MolecularWeight: 384.4488

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Descriptors Computed from Structure

Canonical SMILES:

COCCN1C(=O)C2=CC=CC=C2N=C1SCC3=CC=CC(=C3)C(=O)OC

Isomeric SMILES

COCCN1C(=O)C2=CC=CC=C2N=C1SCC3=CC=CC(=C3)C(=O)OC

InChI

InChI=1S/C20H20N2O4S/c1-25-11-10-22-18(23)16-8-3-4-9-17(16)21-20(22)27-13-14-6-5-7-15(12-14)19(24)26-2/h3-9,12H,10-11,13H2,1-2H3