2-[3,5-bis(chloranyl)-4-oxidanyl-phenyl]sulfanyl-1-propanoyl-pyrrolidine-2-carboxylic acid

Systemtic Name: 2-[3,5-bis(chloranyl)-4-oxidanyl-phenyl]sulfanyl-1-propanoyl-pyrrolidine-2-carboxylic acid Openeye Name: 2-(3,5-dichloro-4-hydroxy-phenyl)sulfanyl-1-propanoyl-pyrrolidine-2-carboxylic acid CAS Name: 2-[(3,5-dichloro-4-hydroxyphenyl)thio]-1-(1-oxopropyl)-2-pyrrolidinecarboxylic acid IUPAC Name: 2-(3,5-dichloro-4-hydroxyphenyl)sulfanyl-1-propanoylpyrrolidine-2-carboxylic acid Traditional Name: 2-[(3,5-dichloro-4-hydroxy-phenyl)thio]-1-propionyl-proline Formula: C14H15Cl2NO4S MolecularWeight: 364.2442

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC(=O)N1CCCC1(C(=O)O)SC2=CC(=C(C(=C2)Cl)O)Cl

Isomeric SMILES

CCC(=O)N1CCCC1(C(=O)O)SC2=CC(=C(C(=C2)Cl)O)Cl

InChI

InChI=1S/C14H15Cl2NO4S/c1-2-11(18)17-5-3-4-14(17,13(20)21)22-8-6-9(15)12(19)10(16)7-8/h6-7,19H,2-5H2,1H3,(H,20,21)