5-[2,6-bis(chloranyl)phenyl]carbonyloxy-3-(3-ethanoylsulfanylpropanoylamino)-4-oxidanylidene-pentanoic acid

Systemtic Name: 5-[2,6-bis(chloranyl)phenyl]carbonyloxy-3-(3-ethanoylsulfanylpropanoylamino)-4-oxidanylidene-pentanoic acid Openeye Name: 3-(3-acetylsulfanylpropanoylamino)-5-(2,6-dichlorobenzoyl)oxy-4-oxo-pentanoic acid CAS Name: 3-[[3-(acetylthio)-1-oxopropyl]amino]-5-[(2,6-dichlorophenyl)-oxomethoxy]-4-oxopentanoic acid IUPAC Name: 3-(3-acetylsulfanylpropanoylamino)-5-(2,6-dichlorobenzoyl)oxy-4-oxopentanoic acid Traditional Name: 3-[3-(acetylthio)propanoylamino]-5-(2,6-dichlorobenzoyl)oxy-4-keto-valeric acid Formula: C17H17Cl2NO7S MolecularWeight: 450.29038

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H17Cl2NO7S/c1-9(21)28-6-5-14(23)20-12(7-15(24)25)13(22)8-27-17(26)16-10(18)3-2-4-11(16)19/h2-4,12H,5-8H2,1H3,(H,20,23)(H,24,25)