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

Systemtic Name: ethyl 4-[2-(7-chloranyl-4-oxidanylidene-3-propyl-quinazolin-2-yl)sulfanylethanoylamino]butanoate Openeye Name: ethyl 4-[[2-(7-chloro-4-oxo-3-propyl-quinazolin-2-yl)sulfanylacetyl]amino]butanoate CAS Name: 4-[[2-[(7-chloro-4-oxo-3-propyl-2-quinazolinyl)thio]-1-oxoethyl]amino]butanoic acid ethyl ester IUPAC Name: ethyl 4-[[2-(7-chloro-4-oxo-3-propylquinazolin-2-yl)sulfanylacetyl]amino]butanoate Traditional Name: 4-[[2-[(7-chloro-4-keto-3-propyl-quinazolin-2-yl)thio]acetyl]amino]butyric acid ethyl ester Formula: C19H24ClN3O4S MolecularWeight: 425.92956

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Descriptors Computed from Structure

Canonical SMILES:

CCCN1C(=O)C2=C(C=C(C=C2)Cl)N=C1SCC(=O)NCCCC(=O)OCC

Isomeric SMILES

CCCN1C(=O)C2=C(C=C(C=C2)Cl)N=C1SCC(=O)NCCCC(=O)OCC

InChI

InChI=1S/C19H24ClN3O4S/c1-3-10-23-18(26)14-8-7-13(20)11-15(14)22-19(23)28-12-16(24)21-9-5-6-17(25)27-4-2/h7-8,11H,3-6,9-10,12H2,1-2H3,(H,21,24)