1-[2-(4-bromophenyl)sulfanylethanoyl]-4-oxidanyl-pyrrolidine-2-carboxylic acid

Systemtic Name: 1-[2-(4-bromophenyl)sulfanylethanoyl]-4-oxidanyl-pyrrolidine-2-carboxylic acid Openeye Name: 1-[2-(4-bromophenyl)sulfanylacetyl]-4-hydroxy-pyrrolidine-2-carboxylic acid CAS Name: 1-[2-[(4-bromophenyl)thio]-1-oxoethyl]-4-hydroxy-2-pyrrolidinecarboxylic acid IUPAC Name: 1-[2-(4-bromophenyl)sulfanylacetyl]-4-hydroxypyrrolidine-2-carboxylic acid Traditional Name: 1-[2-[(4-bromophenyl)thio]acetyl]-4-hydroxy-proline Formula: C13H14BrNO4S MolecularWeight: 360.22356

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Descriptors Computed from Structure

Canonical SMILES:

C1C(CN(C1C(=O)O)C(=O)CSC2=CC=C(C=C2)Br)O

Isomeric SMILES

C1C(CN(C1C(=O)O)C(=O)CSC2=CC=C(C=C2)Br)O

InChI

InChI=1S/C13H14BrNO4S/c14-8-1-3-10(4-2-8)20-7-12(17)15-6-9(16)5-11(15)13(18)19/h1-4,9,11,16H,5-7H2,(H,18,19)