ethyl 4-[2-[3-(3-chlorophenyl)-4-oxidanylidene-quinazolin-2-yl]sulfanylethanoylamino]butanoate

Systemtic Name: ethyl 4-[2-[3-(3-chlorophenyl)-4-oxidanylidene-quinazolin-2-yl]sulfanylethanoylamino]butanoate Openeye Name: ethyl 4-[[2-[3-(3-chlorophenyl)-4-oxo-quinazolin-2-yl]sulfanylacetyl]amino]butanoate CAS Name: 4-[[2-[[3-(3-chlorophenyl)-4-oxo-2-quinazolinyl]thio]-1-oxoethyl]amino]butanoic acid ethyl ester IUPAC Name: ethyl 4-[[2-[3-(3-chlorophenyl)-4-oxoquinazolin-2-yl]sulfanylacetyl]amino]butanoate Traditional Name: 4-[[2-[[3-(3-chlorophenyl)-4-keto-quinazolin-2-yl]thio]acetyl]amino]butyric acid ethyl ester Formula: C22H22ClN3O4S MolecularWeight: 459.94578

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CCCNC(=O)CSC1=NC2=CC=CC=C2C(=O)N1C3=CC(=CC=C3)Cl

Isomeric SMILES

CCOC(=O)CCCNC(=O)CSC1=NC2=CC=CC=C2C(=O)N1C3=CC(=CC=C3)Cl

InChI

InChI=1S/C22H22ClN3O4S/c1-2-30-20(28)11-6-12-24-19(27)14-31-22-25-18-10-4-3-9-17(18)21(29)26(22)16-8-5-7-15(23)13-16/h3-5,7-10,13H,2,6,11-12,14H2,1H3,(H,24,27)