diethyl 2-(4-oxidanylidene-3-prop-2-enyl-quinazolin-2-yl)sulfanylpropanedioate

Systemtic Name: diethyl 2-(4-oxidanylidene-3-prop-2-enyl-quinazolin-2-yl)sulfanylpropanedioate Openeye Name: diethyl 2-(3-allyl-4-oxo-quinazolin-2-yl)sulfanylpropanedioate CAS Name: 2-[(4-oxo-3-prop-2-enyl-2-quinazolinyl)thio]propanedioic acid diethyl ester IUPAC Name: diethyl 2-(4-oxo-3-prop-2-enylquinazolin-2-yl)sulfanylpropanedioate Traditional Name: 2-[(3-allyl-4-keto-quinazolin-2-yl)thio]malonic acid diethyl ester Formula: C18H20N2O5S MolecularWeight: 376.4268

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(C(=O)OCC)SC1=NC2=CC=CC=C2C(=O)N1CC=C

Isomeric SMILES

CCOC(=O)C(C(=O)OCC)SC1=NC2=CC=CC=C2C(=O)N1CC=C

InChI

InChI=1S/C18H20N2O5S/c1-4-11-20-15(21)12-9-7-8-10-13(12)19-18(20)26-14(16(22)24-5-2)17(23)25-6-3/h4,7-10,14H,1,5-6,11H2,2-3H3