1-[4-(5-bromanylthiophen-2-yl)-3-ethanoylsulfanyl-4-oxidanylidene-butanoyl]pyrrolidine-2-carboxylic acid

Systemtic Name: 1-[4-(5-bromanylthiophen-2-yl)-3-ethanoylsulfanyl-4-oxidanylidene-butanoyl]pyrrolidine-2-carboxylic acid Openeye Name: 1-[3-acetylsulfanyl-4-(5-bromo-2-thienyl)-4-oxo-butanoyl]pyrrolidine-2-carboxylic acid CAS Name: 1-[3-(acetylthio)-4-(5-bromo-2-thiophenyl)-1,4-dioxobutyl]-2-pyrrolidinecarboxylic acid IUPAC Name: 1-[3-acetylsulfanyl-4-(5-bromothiophen-2-yl)-4-oxobutanoyl]pyrrolidine-2-carboxylic acid Traditional Name: 1-[3-(acetylthio)-4-(5-bromo-2-thienyl)-4-keto-butanoyl]proline Formula: C15H16BrNO5S2 MolecularWeight: 434.32524

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)SC(CC(=O)N1CCCC1C(=O)O)C(=O)C2=CC=C(S2)Br

Isomeric SMILES

CC(=O)SC(CC(=O)N1CCCC1C(=O)O)C(=O)C2=CC=C(S2)Br

InChI

InChI=1S/C15H16BrNO5S2/c1-8(18)23-11(14(20)10-4-5-12(16)24-10)7-13(19)17-6-2-3-9(17)15(21)22/h4-5,9,11H,2-3,6-7H2,1H3,(H,21,22)