1-[2-(4-chlorophenyl)sulfanylpropanoyl]-4-oxidanyl-pyrrolidine-2-carboxylic acid

Systemtic Name: 1-[2-(4-chlorophenyl)sulfanylpropanoyl]-4-oxidanyl-pyrrolidine-2-carboxylic acid Openeye Name: 1-[2-(4-chlorophenyl)sulfanylpropanoyl]-4-hydroxy-pyrrolidine-2-carboxylic acid CAS Name: 1-[2-[(4-chlorophenyl)thio]-1-oxopropyl]-4-hydroxy-2-pyrrolidinecarboxylic acid IUPAC Name: 1-[2-(4-chlorophenyl)sulfanylpropanoyl]-4-hydroxypyrrolidine-2-carboxylic acid Traditional Name: 1-[2-[(4-chlorophenyl)thio]propanoyl]-4-hydroxy-proline Formula: C14H16ClNO4S MolecularWeight: 329.79914

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)N1CC(CC1C(=O)O)O)SC2=CC=C(C=C2)Cl

Isomeric SMILES

CC(C(=O)N1CC(CC1C(=O)O)O)SC2=CC=C(C=C2)Cl

InChI

InChI=1S/C14H16ClNO4S/c1-8(21-11-4-2-9(15)3-5-11)13(18)16-7-10(17)6-12(16)14(19)20/h2-5,8,10,12,17H,6-7H2,1H3,(H,19,20)