methyl 4-[2-(7-chloranyl-4-oxidanylidene-3-propan-2-yl-quinazolin-2-yl)sulfanylethanoylamino]butanoate

Systemtic Name: methyl 4-[2-(7-chloranyl-4-oxidanylidene-3-propan-2-yl-quinazolin-2-yl)sulfanylethanoylamino]butanoate Openeye Name: methyl 4-[[2-(7-chloro-3-isopropyl-4-oxo-quinazolin-2-yl)sulfanylacetyl]amino]butanoate CAS Name: 4-[[2-[(7-chloro-4-oxo-3-propan-2-yl-2-quinazolinyl)thio]-1-oxoethyl]amino]butanoic acid methyl ester IUPAC Name: methyl 4-[[2-(7-chloro-4-oxo-3-propan-2-ylquinazolin-2-yl)sulfanylacetyl]amino]butanoate Traditional Name: 4-[[2-[(7-chloro-3-isopropyl-4-keto-quinazolin-2-yl)thio]acetyl]amino]butyric acid methyl ester Formula: C18H22ClN3O4S MolecularWeight: 411.90298

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)N1C(=O)C2=C(C=C(C=C2)Cl)N=C1SCC(=O)NCCCC(=O)OC

Isomeric SMILES

CC(C)N1C(=O)C2=C(C=C(C=C2)Cl)N=C1SCC(=O)NCCCC(=O)OC

InChI

InChI=1S/C18H22ClN3O4S/c1-11(2)22-17(25)13-7-6-12(19)9-14(13)21-18(22)27-10-15(23)20-8-4-5-16(24)26-3/h6-7,9,11H,4-5,8,10H2,1-3H3,(H,20,23)