2-[[4-(4-bromophenyl)-3-ethanoylsulfanyl-4-oxidanylidene-butanoyl]amino]-4-methylsulfanyl-butanoic acid

Systemtic Name: 2-[[4-(4-bromophenyl)-3-ethanoylsulfanyl-4-oxidanylidene-butanoyl]amino]-4-methylsulfanyl-butanoic acid Openeye Name: 2-[[3-acetylsulfanyl-4-(4-bromophenyl)-4-oxo-butanoyl]amino]-4-methylsulfanyl-butanoic acid CAS Name: 2-[[3-(acetylthio)-4-(4-bromophenyl)-1,4-dioxobutyl]amino]-4-(methylthio)butanoic acid IUPAC Name: 2-[[3-acetylsulfanyl-4-(4-bromophenyl)-4-oxobutanoyl]amino]-4-methylsulfanylbutanoic acid Traditional Name: 2-[[3-(acetylthio)-4-(4-bromophenyl)-4-keto-butanoyl]amino]-4-(methylthio)butyric acid Formula: C17H20BrNO5S2 MolecularWeight: 462.3784

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)SC(CC(=O)NC(CCSC)C(=O)O)C(=O)C1=CC=C(C=C1)Br

Isomeric SMILES

CC(=O)SC(CC(=O)NC(CCSC)C(=O)O)C(=O)C1=CC=C(C=C1)Br

InChI

InChI=1S/C17H20BrNO5S2/c1-10(20)26-14(16(22)11-3-5-12(18)6-4-11)9-15(21)19-13(17(23)24)7-8-25-2/h3-6,13-14H,7-9H2,1-2H3,(H,19,21)(H,23,24)