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

Systemtic Name: 2-[[4-(4-bromophenyl)-3-ethanoylsulfanyl-4-oxidanylidene-butanoyl]amino]-3-methylsulfanyl-propanoic acid Openeye Name: 2-[[3-acetylsulfanyl-4-(4-bromophenyl)-4-oxo-butanoyl]amino]-3-methylsulfanyl-propanoic acid CAS Name: 2-[[3-(acetylthio)-4-(4-bromophenyl)-1,4-dioxobutyl]amino]-3-(methylthio)propanoic acid IUPAC Name: 2-[[3-acetylsulfanyl-4-(4-bromophenyl)-4-oxobutanoyl]amino]-3-methylsulfanylpropanoic acid Traditional Name: 2-[[3-(acetylthio)-4-(4-bromophenyl)-4-keto-butanoyl]amino]-3-(methylthio)propionic acid Formula: C16H18BrNO5S2 MolecularWeight: 448.35182

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H18BrNO5S2/c1-9(19)25-13(15(21)10-3-5-11(17)6-4-10)7-14(20)18-12(8-24-2)16(22)23/h3-6,12-13H,7-8H2,1-2H3,(H,18,20)(H,22,23)