methyl 1-[4-(4-bromophenyl)-3-ethanoylsulfanyl-4-oxidanylidene-butanoyl]pyrrolidine-2-carboxylate

Systemtic Name: methyl 1-[4-(4-bromophenyl)-3-ethanoylsulfanyl-4-oxidanylidene-butanoyl]pyrrolidine-2-carboxylate Openeye Name: methyl 1-[3-acetylsulfanyl-4-(4-bromophenyl)-4-oxo-butanoyl]pyrrolidine-2-carboxylate CAS Name: 1-[3-(acetylthio)-4-(4-bromophenyl)-1,4-dioxobutyl]-2-pyrrolidinecarboxylic acid methyl ester IUPAC Name: methyl 1-[3-acetylsulfanyl-4-(4-bromophenyl)-4-oxobutanoyl]pyrrolidine-2-carboxylate Traditional Name: 1-[3-(acetylthio)-4-(4-bromophenyl)-4-keto-butanoyl]pyrrolidine-2-carboxylic acid methyl ester Formula: C18H20BrNO5S MolecularWeight: 442.3241

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H20BrNO5S/c1-11(21)26-15(17(23)12-5-7-13(19)8-6-12)10-16(22)20-9-3-4-14(20)18(24)25-2/h5-8,14-15H,3-4,9-10H2,1-2H3