ethyl 4-(7-morpholin-4-ylcarbonyl-4-oxidanylidene-3-prop-2-enyl-quinazolin-2-yl)sulfanyl-3-oxidanylidene-butanoate

Systemtic Name: ethyl 4-(7-morpholin-4-ylcarbonyl-4-oxidanylidene-3-prop-2-enyl-quinazolin-2-yl)sulfanyl-3-oxidanylidene-butanoate Openeye Name: ethyl 4-[3-allyl-7-(morpholine-4-carbonyl)-4-oxo-quinazolin-2-yl]sulfanyl-3-oxo-butanoate CAS Name: 4-[[7-[4-morpholinyl(oxo)methyl]-4-oxo-3-prop-2-enyl-2-quinazolinyl]thio]-3-oxobutanoic acid ethyl ester IUPAC Name: ethyl 4-[7-(morpholine-4-carbonyl)-4-oxo-3-prop-2-enylquinazolin-2-yl]sulfanyl-3-oxobutanoate Traditional Name: 4-[[3-allyl-4-keto-7-(morpholine-4-carbonyl)quinazolin-2-yl]thio]-3-keto-butyric acid ethyl ester Formula: C22H25N3O6S MolecularWeight: 459.5154

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CC(=O)CSC1=NC2=C(C=CC(=C2)C(=O)N3CCOCC3)C(=O)N1CC=C

Isomeric SMILES

CCOC(=O)CC(=O)CSC1=NC2=C(C=CC(=C2)C(=O)N3CCOCC3)C(=O)N1CC=C

InChI

InChI=1S/C22H25N3O6S/c1-3-7-25-21(29)17-6-5-15(20(28)24-8-10-30-11-9-24)12-18(17)23-22(25)32-14-16(26)13-19(27)31-4-2/h3,5-6,12H,1,4,7-11,13-14H2,2H3