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

Systemtic Name: 1-[2-(4-bromophenyl)sulfanylethanoyl]-4-methoxy-pyrrolidine-2-carboxylic acid Openeye Name: 1-[2-(4-bromophenyl)sulfanylacetyl]-4-methoxy-pyrrolidine-2-carboxylic acid CAS Name: 1-[2-[(4-bromophenyl)thio]-1-oxoethyl]-4-methoxy-2-pyrrolidinecarboxylic acid IUPAC Name: 1-[2-(4-bromophenyl)sulfanylacetyl]-4-methoxypyrrolidine-2-carboxylic acid Traditional Name: 1-[2-[(4-bromophenyl)thio]acetyl]-4-methoxy-proline Formula: C14H16BrNO4S MolecularWeight: 374.25014

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1CC(N(C1)C(=O)CSC2=CC=C(C=C2)Br)C(=O)O

Isomeric SMILES

COC1CC(N(C1)C(=O)CSC2=CC=C(C=C2)Br)C(=O)O

InChI

InChI=1S/C14H16BrNO4S/c1-20-10-6-12(14(18)19)16(7-10)13(17)8-21-11-4-2-9(15)3-5-11/h2-5,10,12H,6-8H2,1H3,(H,18,19)