ethyl 3-oxidanylidene-4-[4-oxidanylidene-7-(oxolan-2-ylmethylcarbamoyl)-3-prop-2-enyl-quinazolin-2-yl]sulfanyl-butanoate

Systemtic Name: ethyl 3-oxidanylidene-4-[4-oxidanylidene-7-(oxolan-2-ylmethylcarbamoyl)-3-prop-2-enyl-quinazolin-2-yl]sulfanyl-butanoate Openeye Name: ethyl 4-[3-allyl-4-oxo-7-(tetrahydrofuran-2-ylmethylcarbamoyl)quinazolin-2-yl]sulfanyl-3-oxo-butanoate CAS Name: 3-oxo-4-[[4-oxo-7-[oxo-(2-oxolanylmethylamino)methyl]-3-prop-2-enyl-2-quinazolinyl]thio]butanoic acid ethyl ester IUPAC Name: ethyl 3-oxo-4-[4-oxo-7-(oxolan-2-ylmethylcarbamoyl)-3-prop-2-enylquinazolin-2-yl]sulfanylbutanoate Traditional Name: 4-[[3-allyl-4-keto-7-(tetrahydrofurfurylcarbamoyl)quinazolin-2-yl]thio]-3-keto-butyric acid ethyl ester Formula: C23H27N3O6S MolecularWeight: 473.54198

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CC(=O)CSC1=NC2=C(C=CC(=C2)C(=O)NCC3CCCO3)C(=O)N1CC=C

Isomeric SMILES

CCOC(=O)CC(=O)CSC1=NC2=C(C=CC(=C2)C(=O)NCC3CCCO3)C(=O)N1CC=C

InChI

InChI=1S/C23H27N3O6S/c1-3-9-26-22(30)18-8-7-15(21(29)24-13-17-6-5-10-32-17)11-19(18)25-23(26)33-14-16(27)12-20(28)31-4-2/h3,7-8,11,17H,1,4-6,9-10,12-14H2,2H3,(H,24,29)