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

Systemtic Name: 2-[[4-(4-bromophenyl)-3-ethanoylsulfanyl-4-oxidanylidene-butanoyl]amino]ethanoic acid Openeye Name: 2-[[3-acetylsulfanyl-4-(4-bromophenyl)-4-oxo-butanoyl]amino]acetic acid CAS Name: 2-[[3-(acetylthio)-4-(4-bromophenyl)-1,4-dioxobutyl]amino]acetic acid IUPAC Name: 2-[[3-acetylsulfanyl-4-(4-bromophenyl)-4-oxobutanoyl]amino]acetic acid Traditional Name: 2-[[3-(acetylthio)-4-(4-bromophenyl)-4-keto-butanoyl]amino]acetic acid Formula: C14H14BrNO5S MolecularWeight: 388.23366

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H14BrNO5S/c1-8(17)22-11(6-12(18)16-7-13(19)20)14(21)9-2-4-10(15)5-3-9/h2-5,11H,6-7H2,1H3,(H,16,18)(H,19,20)