2-[[4-(4-bromophenyl)-3-ethanoylsulfanyl-4-oxidanylidene-butanoyl]-methyl-amino]ethanoic acid

Systemtic Name: 2-[[4-(4-bromophenyl)-3-ethanoylsulfanyl-4-oxidanylidene-butanoyl]-methyl-amino]ethanoic acid Openeye Name: 2-[[3-acetylsulfanyl-4-(4-bromophenyl)-4-oxo-butanoyl]-methyl-amino]acetic acid CAS Name: 2-[[3-(acetylthio)-4-(4-bromophenyl)-1,4-dioxobutyl]-methylamino]acetic acid IUPAC Name: 2-[[3-acetylsulfanyl-4-(4-bromophenyl)-4-oxobutanoyl]-methylamino]acetic acid Traditional Name: 2-[[3-(acetylthio)-4-(4-bromophenyl)-4-keto-butanoyl]-methyl-amino]acetic acid Formula: C15H16BrNO5S MolecularWeight: 402.26024

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)SC(CC(=O)N(C)CC(=O)O)C(=O)C1=CC=C(C=C1)Br

Isomeric SMILES

CC(=O)SC(CC(=O)N(C)CC(=O)O)C(=O)C1=CC=C(C=C1)Br

InChI

InChI=1S/C15H16BrNO5S/c1-9(18)23-12(7-13(19)17(2)8-14(20)21)15(22)10-3-5-11(16)6-4-10/h3-6,12H,7-8H2,1-2H3,(H,20,21)