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

Systemtic Name: ethyl 2-[7-(furan-2-ylmethylcarbamoyl)-4-oxidanylidene-3-prop-2-enyl-quinazolin-2-yl]sulfanylethanoate Openeye Name: ethyl 2-[3-allyl-7-(2-furylmethylcarbamoyl)-4-oxo-quinazolin-2-yl]sulfanylacetate CAS Name: 2-[[7-[(2-furanylmethylamino)-oxomethyl]-4-oxo-3-prop-2-enyl-2-quinazolinyl]thio]acetic acid ethyl ester IUPAC Name: ethyl 2-[7-(furan-2-ylmethylcarbamoyl)-4-oxo-3-prop-2-enylquinazolin-2-yl]sulfanylacetate Traditional Name: 2-[[3-allyl-7-(2-furfurylcarbamoyl)-4-keto-quinazolin-2-yl]thio]acetic acid ethyl ester Formula: C21H21N3O5S MolecularWeight: 427.47354

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CSC1=NC2=C(C=CC(=C2)C(=O)NCC3=CC=CO3)C(=O)N1CC=C

Isomeric SMILES

CCOC(=O)CSC1=NC2=C(C=CC(=C2)C(=O)NCC3=CC=CO3)C(=O)N1CC=C

InChI

InChI=1S/C21H21N3O5S/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/h3,5-8,10-11H,1,4,9,12-13H2,2H3,(H,22,26)