3-ethanoyl-1-[4-[[(2-sulfanylidene-1,3-dihydrobenzimidazol-5-yl)amino]methoxy]phenyl]pyrrolidine-2-carboxylic acid

Systemtic Name: 3-ethanoyl-1-[4-[[(2-sulfanylidene-1,3-dihydrobenzimidazol-5-yl)amino]methoxy]phenyl]pyrrolidine-2-carboxylic acid Openeye Name: 3-acetyl-1-[4-[[(2-thioxo-1,3-dihydrobenzimidazol-5-yl)amino]methoxy]phenyl]pyrrolidine-2-carboxylic acid CAS Name: 3-acetyl-1-[4-[[(2-sulfanylidene-1,3-dihydrobenzimidazol-5-yl)amino]methoxy]phenyl]-2-pyrrolidinecarboxylic acid IUPAC Name: 3-acetyl-1-[4-[[(2-sulfanylidene-1,3-dihydrobenzimidazol-5-yl)amino]methoxy]phenyl]pyrrolidine-2-carboxylic acid Traditional Name: 3-acetyl-1-[4-[[(2-thioxo-1,3-dihydrobenzimidazol-5-yl)amino]methoxy]phenyl]proline Formula: C21H22N4O4S MolecularWeight: 426.48878

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C1CCN(C1C(=O)O)C2=CC=C(C=C2)OCNC3=CC4=C(C=C3)NC(=S)N4

Isomeric SMILES

CC(=O)C1CCN(C1C(=O)O)C2=CC=C(C=C2)OCNC3=CC4=C(C=C3)NC(=S)N4

InChI

InChI=1S/C21H22N4O4S/c1-12(26)16-8-9-25(19(16)20(27)28)14-3-5-15(6-4-14)29-11-22-13-2-7-17-18(10-13)24-21(30)23-17/h2-7,10,16,19,22H,8-9,11H2,1H3,(H,27,28)(H2,23,24,30)