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

Systemtic Name: ethyl 2-[7-[(3-chlorophenyl)carbamoyl]-4-oxidanylidene-3-pentyl-quinazolin-2-yl]sulfanylethanoate Openeye Name: ethyl 2-[7-[(3-chlorophenyl)carbamoyl]-4-oxo-3-pentyl-quinazolin-2-yl]sulfanylacetate CAS Name: 2-[[7-[(3-chloroanilino)-oxomethyl]-4-oxo-3-pentyl-2-quinazolinyl]thio]acetic acid ethyl ester IUPAC Name: ethyl 2-[7-[(3-chlorophenyl)carbamoyl]-4-oxo-3-pentylquinazolin-2-yl]sulfanylacetate Traditional Name: 2-[[3-amyl-7-[(3-chlorophenyl)carbamoyl]-4-keto-quinazolin-2-yl]thio]acetic acid ethyl ester Formula: C24H26ClN3O4S MolecularWeight: 487.99894

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCN1C(=O)C2=C(C=C(C=C2)C(=O)NC3=CC(=CC=C3)Cl)N=C1SCC(=O)OCC

Isomeric SMILES

CCCCCN1C(=O)C2=C(C=C(C=C2)C(=O)NC3=CC(=CC=C3)Cl)N=C1SCC(=O)OCC

InChI

InChI=1S/C24H26ClN3O4S/c1-3-5-6-12-28-23(31)19-11-10-16(22(30)26-18-9-7-8-17(25)14-18)13-20(19)27-24(28)33-15-21(29)32-4-2/h7-11,13-14H,3-6,12,15H2,1-2H3,(H,26,30)