4-[2,6-bis(chloranyl)phenyl]carbonyloxy-2-(2-ethanoylsulfanylethanoylamino)-3-oxidanylidene-butanoic acid

Systemtic Name: 4-[2,6-bis(chloranyl)phenyl]carbonyloxy-2-(2-ethanoylsulfanylethanoylamino)-3-oxidanylidene-butanoic acid Openeye Name: 2-[(2-acetylsulfanylacetyl)amino]-4-(2,6-dichlorobenzoyl)oxy-3-oxo-butanoic acid CAS Name: 2-[[2-(acetylthio)-1-oxoethyl]amino]-4-[(2,6-dichlorophenyl)-oxomethoxy]-3-oxobutanoic acid IUPAC Name: 2-[(2-acetylsulfanylacetyl)amino]-4-(2,6-dichlorobenzoyl)oxy-3-oxobutanoic acid Traditional Name: 2-[[2-(acetylthio)acetyl]amino]-4-(2,6-dichlorobenzoyl)oxy-3-keto-butyric acid Formula: C15H13Cl2NO7S MolecularWeight: 422.23722

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)SCC(=O)NC(C(=O)COC(=O)C1=C(C=CC=C1Cl)Cl)C(=O)O

Isomeric SMILES

CC(=O)SCC(=O)NC(C(=O)COC(=O)C1=C(C=CC=C1Cl)Cl)C(=O)O

InChI

InChI=1S/C15H13Cl2NO7S/c1-7(19)26-6-11(21)18-13(14(22)23)10(20)5-25-15(24)12-8(16)3-2-4-9(12)17/h2-4,13H,5-6H2,1H3,(H,18,21)(H,22,23)