2-[[4-(3,4-dichlorophenyl)-3-ethanoylsulfanyl-4-oxidanylidene-butanoyl]amino]propanoic acid

Systemtic Name: 2-[[4-(3,4-dichlorophenyl)-3-ethanoylsulfanyl-4-oxidanylidene-butanoyl]amino]propanoic acid Openeye Name: 2-[[3-acetylsulfanyl-4-(3,4-dichlorophenyl)-4-oxo-butanoyl]amino]propanoic acid CAS Name: 2-[[3-(acetylthio)-4-(3,4-dichlorophenyl)-1,4-dioxobutyl]amino]propanoic acid IUPAC Name: 2-[[3-acetylsulfanyl-4-(3,4-dichlorophenyl)-4-oxobutanoyl]amino]propanoic acid Traditional Name: 2-[[3-(acetylthio)-4-(3,4-dichlorophenyl)-4-keto-butanoyl]amino]propionic acid Formula: C15H15Cl2NO5S MolecularWeight: 392.2543

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)O)NC(=O)CC(C(=O)C1=CC(=C(C=C1)Cl)Cl)SC(=O)C

Isomeric SMILES

CC(C(=O)O)NC(=O)CC(C(=O)C1=CC(=C(C=C1)Cl)Cl)SC(=O)C

InChI

InChI=1S/C15H15Cl2NO5S/c1-7(15(22)23)18-13(20)6-12(24-8(2)19)14(21)9-3-4-10(16)11(17)5-9/h3-5,7,12H,6H2,1-2H3,(H,18,20)(H,22,23)