diethyl 2-[3-(4-methoxyphenyl)-4-oxidanylidene-quinazolin-2-yl]sulfanylpropanedioate

Systemtic Name: diethyl 2-[3-(4-methoxyphenyl)-4-oxidanylidene-quinazolin-2-yl]sulfanylpropanedioate Openeye Name: diethyl 2-[3-(4-methoxyphenyl)-4-oxo-quinazolin-2-yl]sulfanylpropanedioate CAS Name: 2-[[3-(4-methoxyphenyl)-4-oxo-2-quinazolinyl]thio]propanedioic acid diethyl ester IUPAC Name: diethyl 2-[3-(4-methoxyphenyl)-4-oxoquinazolin-2-yl]sulfanylpropanedioate Traditional Name: 2-[[4-keto-3-(4-methoxyphenyl)quinazolin-2-yl]thio]malonic acid diethyl ester Formula: C22H22N2O6S MolecularWeight: 442.48488

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(C(=O)OCC)SC1=NC2=CC=CC=C2C(=O)N1C3=CC=C(C=C3)OC

Isomeric SMILES

CCOC(=O)C(C(=O)OCC)SC1=NC2=CC=CC=C2C(=O)N1C3=CC=C(C=C3)OC

InChI

InChI=1S/C22H22N2O6S/c1-4-29-20(26)18(21(27)30-5-2)31-22-23-17-9-7-6-8-16(17)19(25)24(22)14-10-12-15(28-3)13-11-14/h6-13,18H,4-5H2,1-3H3