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

Systemtic Name: ethyl 4-[2-[7-chloranyl-3-(2-methoxyethyl)-4-oxidanylidene-quinazolin-2-yl]sulfanylethanoylamino]butanoate Openeye Name: ethyl 4-[[2-[7-chloro-3-(2-methoxyethyl)-4-oxo-quinazolin-2-yl]sulfanylacetyl]amino]butanoate CAS Name: 4-[[2-[[7-chloro-3-(2-methoxyethyl)-4-oxo-2-quinazolinyl]thio]-1-oxoethyl]amino]butanoic acid ethyl ester IUPAC Name: ethyl 4-[[2-[7-chloro-3-(2-methoxyethyl)-4-oxoquinazolin-2-yl]sulfanylacetyl]amino]butanoate Traditional Name: 4-[[2-[[7-chloro-4-keto-3-(2-methoxyethyl)quinazolin-2-yl]thio]acetyl]amino]butyric acid ethyl ester Formula: C19H24ClN3O5S MolecularWeight: 441.92896

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CCCNC(=O)CSC1=NC2=C(C=CC(=C2)Cl)C(=O)N1CCOC

Isomeric SMILES

CCOC(=O)CCCNC(=O)CSC1=NC2=C(C=CC(=C2)Cl)C(=O)N1CCOC

InChI

InChI=1S/C19H24ClN3O5S/c1-3-28-17(25)5-4-8-21-16(24)12-29-19-22-15-11-13(20)6-7-14(15)18(26)23(19)9-10-27-2/h6-7,11H,3-5,8-10,12H2,1-2H3,(H,21,24)