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

Systemtic Name: ethyl 2-[4-oxidanylidene-7-(oxolan-2-ylmethylcarbamoyl)-3-prop-2-enyl-quinazolin-2-yl]sulfanylethanoate Openeye Name: ethyl 2-[3-allyl-4-oxo-7-(tetrahydrofuran-2-ylmethylcarbamoyl)quinazolin-2-yl]sulfanylacetate CAS Name: 2-[[4-oxo-7-[oxo-(2-oxolanylmethylamino)methyl]-3-prop-2-enyl-2-quinazolinyl]thio]acetic acid ethyl ester IUPAC Name: ethyl 2-[4-oxo-7-(oxolan-2-ylmethylcarbamoyl)-3-prop-2-enylquinazolin-2-yl]sulfanylacetate Traditional Name: 2-[[3-allyl-4-keto-7-(tetrahydrofurfurylcarbamoyl)quinazolin-2-yl]thio]acetic acid ethyl ester Formula: C21H25N3O5S MolecularWeight: 431.5053

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H25N3O5S/c1-3-9-24-20(27)16-8-7-14(19(26)22-12-15-6-5-10-29-15)11-17(16)23-21(24)30-13-18(25)28-4-2/h3,7-8,11,15H,1,4-6,9-10,12-13H2,2H3,(H,22,26)