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

Systemtic Name: 5-[2,6-bis(chloranyl)phenyl]carbonyloxy-3-(2-ethanoylsulfanylethanoylamino)-4-oxidanylidene-pentanoic acid Openeye Name: 3-[(2-acetylsulfanylacetyl)amino]-5-(2,6-dichlorobenzoyl)oxy-4-oxo-pentanoic acid CAS Name: 3-[[2-(acetylthio)-1-oxoethyl]amino]-5-[(2,6-dichlorophenyl)-oxomethoxy]-4-oxopentanoic acid IUPAC Name: 3-[(2-acetylsulfanylacetyl)amino]-5-(2,6-dichlorobenzoyl)oxy-4-oxopentanoic acid Traditional Name: 3-[[2-(acetylthio)acetyl]amino]-5-(2,6-dichlorobenzoyl)oxy-4-keto-valeric acid Formula: C16H15Cl2NO7S MolecularWeight: 436.2638

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H15Cl2NO7S/c1-8(20)27-7-13(22)19-11(5-14(23)24)12(21)6-26-16(25)15-9(17)3-2-4-10(15)18/h2-4,11H,5-7H2,1H3,(H,19,22)(H,23,24)