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

Systemtic Name: methyl 4-[[3-(2-methoxyethyl)-4-oxidanylidene-quinazolin-2-yl]sulfanylmethyl]benzoate Openeye Name: methyl 4-[[3-(2-methoxyethyl)-4-oxo-quinazolin-2-yl]sulfanylmethyl]benzoate CAS Name: 4-[[[3-(2-methoxyethyl)-4-oxo-2-quinazolinyl]thio]methyl]benzoic acid methyl ester IUPAC Name: methyl 4-[[3-(2-methoxyethyl)-4-oxoquinazolin-2-yl]sulfanylmethyl]benzoate Traditional Name: 4-[[[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=C(C=C3)C(=O)OC

Isomeric SMILES

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

InChI

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