2-[2-[3-(4-chloranyl-2-methoxy-5-methyl-phenyl)-4-oxidanylidene-quinazolin-2-yl]sulfanylethanoylamino]-3-methyl-butanoic acid

Systemtic Name: 2-[2-[3-(4-chloranyl-2-methoxy-5-methyl-phenyl)-4-oxidanylidene-quinazolin-2-yl]sulfanylethanoylamino]-3-methyl-butanoic acid Openeye Name: 2-[[2-[3-(4-chloro-2-methoxy-5-methyl-phenyl)-4-oxo-quinazolin-2-yl]sulfanylacetyl]amino]-3-methyl-butanoic acid CAS Name: 2-[[2-[[3-(4-chloro-2-methoxy-5-methylphenyl)-4-oxo-2-quinazolinyl]thio]-1-oxoethyl]amino]-3-methylbutanoic acid IUPAC Name: 2-[[2-[3-(4-chloro-2-methoxy-5-methylphenyl)-4-oxoquinazolin-2-yl]sulfanylacetyl]amino]-3-methylbutanoic acid Traditional Name: 2-[[2-[[3-(4-chloro-2-methoxy-5-methyl-phenyl)-4-keto-quinazolin-2-yl]thio]acetyl]amino]-3-methyl-butyric acid Formula: C23H24ClN3O5S MolecularWeight: 489.97176

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1Cl)OC)N2C(=O)C3=CC=CC=C3N=C2SCC(=O)NC(C(C)C)C(=O)O

Isomeric SMILES

CC1=CC(=C(C=C1Cl)OC)N2C(=O)C3=CC=CC=C3N=C2SCC(=O)NC(C(C)C)C(=O)O

InChI

InChI=1S/C23H24ClN3O5S/c1-12(2)20(22(30)31)26-19(28)11-33-23-25-16-8-6-5-7-14(16)21(29)27(23)17-9-13(3)15(24)10-18(17)32-4/h5-10,12,20H,11H2,1-4H3,(H,26,28)(H,30,31)