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

Systemtic Name: ethyl 2-[7-(cyclohexylcarbamoyl)-4-oxidanylidene-3-pentyl-quinazolin-2-yl]sulfanylethanoate Openeye Name: ethyl 2-[7-(cyclohexylcarbamoyl)-4-oxo-3-pentyl-quinazolin-2-yl]sulfanylacetate CAS Name: 2-[[7-[(cyclohexylamino)-oxomethyl]-4-oxo-3-pentyl-2-quinazolinyl]thio]acetic acid ethyl ester IUPAC Name: ethyl 2-[7-(cyclohexylcarbamoyl)-4-oxo-3-pentylquinazolin-2-yl]sulfanylacetate Traditional Name: 2-[[3-amyl-7-(cyclohexylcarbamoyl)-4-keto-quinazolin-2-yl]thio]acetic acid ethyl ester Formula: C24H33N3O4S MolecularWeight: 459.60152

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCN1C(=O)C2=C(C=C(C=C2)C(=O)NC3CCCCC3)N=C1SCC(=O)OCC

Isomeric SMILES

CCCCCN1C(=O)C2=C(C=C(C=C2)C(=O)NC3CCCCC3)N=C1SCC(=O)OCC

InChI

InChI=1S/C24H33N3O4S/c1-3-5-9-14-27-23(30)19-13-12-17(22(29)25-18-10-7-6-8-11-18)15-20(19)26-24(27)32-16-21(28)31-4-2/h12-13,15,18H,3-11,14,16H2,1-2H3,(H,25,29)