1-[4-(4-bromophenyl)-4-oxidanylidene-3-sulfanyl-butanoyl]pyrrolidine-2-carboxylic acid

Systemtic Name: 1-[4-(4-bromophenyl)-4-oxidanylidene-3-sulfanyl-butanoyl]pyrrolidine-2-carboxylic acid Openeye Name: 1-[4-(4-bromophenyl)-4-oxo-3-sulfanyl-butanoyl]pyrrolidine-2-carboxylic acid CAS Name: 1-[4-(4-bromophenyl)-3-mercapto-1,4-dioxobutyl]-2-pyrrolidinecarboxylic acid IUPAC Name: 1-[4-(4-bromophenyl)-4-oxo-3-sulfanylbutanoyl]pyrrolidine-2-carboxylic acid Traditional Name: 1-[4-(4-bromophenyl)-4-keto-3-mercapto-butanoyl]proline Formula: C15H16BrNO4S MolecularWeight: 386.26084

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(N(C1)C(=O)CC(C(=O)C2=CC=C(C=C2)Br)S)C(=O)O

Isomeric SMILES

C1CC(N(C1)C(=O)CC(C(=O)C2=CC=C(C=C2)Br)S)C(=O)O

InChI

InChI=1S/C15H16BrNO4S/c16-10-5-3-9(4-6-10)14(19)12(22)8-13(18)17-7-1-2-11(17)15(20)21/h3-6,11-12,22H,1-2,7-8H2,(H,20,21)