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

Systemtic Name: ethyl 2-[7-[(3-chlorophenyl)methylcarbamoyl]-4-oxidanylidene-3-pentyl-quinazolin-2-yl]sulfanylethanoate Openeye Name: ethyl 2-[7-[(3-chlorophenyl)methylcarbamoyl]-4-oxo-3-pentyl-quinazolin-2-yl]sulfanylacetate CAS Name: 2-[[7-[[(3-chlorophenyl)methylamino]-oxomethyl]-4-oxo-3-pentyl-2-quinazolinyl]thio]acetic acid ethyl ester IUPAC Name: ethyl 2-[7-[(3-chlorophenyl)methylcarbamoyl]-4-oxo-3-pentylquinazolin-2-yl]sulfanylacetate Traditional Name: 2-[[3-amyl-7-[(3-chlorobenzyl)carbamoyl]-4-keto-quinazolin-2-yl]thio]acetic acid ethyl ester Formula: C25H28ClN3O4S MolecularWeight: 502.02552

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCN1C(=O)C2=C(C=C(C=C2)C(=O)NCC3=CC(=CC=C3)Cl)N=C1SCC(=O)OCC

Isomeric SMILES

CCCCCN1C(=O)C2=C(C=C(C=C2)C(=O)NCC3=CC(=CC=C3)Cl)N=C1SCC(=O)OCC

InChI

InChI=1S/C25H28ClN3O4S/c1-3-5-6-12-29-24(32)20-11-10-18(23(31)27-15-17-8-7-9-19(26)13-17)14-21(20)28-25(29)34-16-22(30)33-4-2/h7-11,13-14H,3-6,12,15-16H2,1-2H3,(H,27,31)