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

Systemtic Name: ethyl 2-[7-(furan-2-ylmethylcarbamoyl)-4-oxidanylidene-3-pentyl-quinazolin-2-yl]sulfanylethanoate Openeye Name: ethyl 2-[7-(2-furylmethylcarbamoyl)-4-oxo-3-pentyl-quinazolin-2-yl]sulfanylacetate CAS Name: 2-[[7-[(2-furanylmethylamino)-oxomethyl]-4-oxo-3-pentyl-2-quinazolinyl]thio]acetic acid ethyl ester IUPAC Name: ethyl 2-[7-(furan-2-ylmethylcarbamoyl)-4-oxo-3-pentylquinazolin-2-yl]sulfanylacetate Traditional Name: 2-[[3-amyl-7-(2-furfurylcarbamoyl)-4-keto-quinazolin-2-yl]thio]acetic acid ethyl ester Formula: C23H27N3O5S MolecularWeight: 457.54258

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCN1C(=O)C2=C(C=C(C=C2)C(=O)NCC3=CC=CO3)N=C1SCC(=O)OCC

Isomeric SMILES

CCCCCN1C(=O)C2=C(C=C(C=C2)C(=O)NCC3=CC=CO3)N=C1SCC(=O)OCC

InChI

InChI=1S/C23H27N3O5S/c1-3-5-6-11-26-22(29)18-10-9-16(21(28)24-14-17-8-7-12-31-17)13-19(18)25-23(26)32-15-20(27)30-4-2/h7-10,12-13H,3-6,11,14-15H2,1-2H3,(H,24,28)