1-[(Z)-4-(4-bromophenyl)-2-ethanoylsulfanyl-3-methyl-4-oxidanylidene-but-2-enyl]pyrrolidine-2-carboxylic acid

Systemtic Name: 1-[(Z)-4-(4-bromophenyl)-2-ethanoylsulfanyl-3-methyl-4-oxidanylidene-but-2-enyl]pyrrolidine-2-carboxylic acid Openeye Name: 1-[(Z)-2-acetylsulfanyl-4-(4-bromophenyl)-3-methyl-4-oxo-but-2-enyl]pyrrolidine-2-carboxylic acid CAS Name: 1-[(Z)-2-(acetylthio)-4-(4-bromophenyl)-3-methyl-4-oxobut-2-enyl]-2-pyrrolidinecarboxylic acid IUPAC Name: 1-[(Z)-2-acetylsulfanyl-4-(4-bromophenyl)-3-methyl-4-oxobut-2-enyl]pyrrolidine-2-carboxylic acid Traditional Name: 1-[(Z)-2-(acetylthio)-4-(4-bromophenyl)-4-keto-3-methyl-but-2-enyl]proline Formula: C18H20BrNO4S MolecularWeight: 426.3247

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Descriptors Computed from Structure

Canonical SMILES:

CC(=C(CN1CCCC1C(=O)O)SC(=O)C)C(=O)C2=CC=C(C=C2)Br

Isomeric SMILES

C/C(=C(\CN1CCCC1C(=O)O)/SC(=O)C)/C(=O)C2=CC=C(C=C2)Br

InChI

InChI=1S/C18H20BrNO4S/c1-11(17(22)13-5-7-14(19)8-6-13)16(25-12(2)21)10-20-9-3-4-15(20)18(23)24/h5-8,15H,3-4,9-10H2,1-2H3,(H,23,24)/b16-11-