ethyl 4-[2-(7-chloranyl-4-oxidanylidene-3-propyl-quinazolin-2-yl)sulfanylethanoylamino]benzoate

Systemtic Name: ethyl 4-[2-(7-chloranyl-4-oxidanylidene-3-propyl-quinazolin-2-yl)sulfanylethanoylamino]benzoate Openeye Name: ethyl 4-[[2-(7-chloro-4-oxo-3-propyl-quinazolin-2-yl)sulfanylacetyl]amino]benzoate CAS Name: 4-[[2-[(7-chloro-4-oxo-3-propyl-2-quinazolinyl)thio]-1-oxoethyl]amino]benzoic acid ethyl ester IUPAC Name: ethyl 4-[[2-(7-chloro-4-oxo-3-propylquinazolin-2-yl)sulfanylacetyl]amino]benzoate Traditional Name: 4-[[2-[(7-chloro-4-keto-3-propyl-quinazolin-2-yl)thio]acetyl]amino]benzoic acid ethyl ester Formula: C22H22ClN3O4S MolecularWeight: 459.94578

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Descriptors Computed from Structure

Canonical SMILES:

CCCN1C(=O)C2=C(C=C(C=C2)Cl)N=C1SCC(=O)NC3=CC=C(C=C3)C(=O)OCC

Isomeric SMILES

CCCN1C(=O)C2=C(C=C(C=C2)Cl)N=C1SCC(=O)NC3=CC=C(C=C3)C(=O)OCC

InChI

InChI=1S/C22H22ClN3O4S/c1-3-11-26-20(28)17-10-7-15(23)12-18(17)25-22(26)31-13-19(27)24-16-8-5-14(6-9-16)21(29)30-4-2/h5-10,12H,3-4,11,13H2,1-2H3,(H,24,27)