(2-phenylbenzimidazol-1-yl) 2-octyl-1-phenoxy-3-sulfanylidene-4-(2H-1,2,3,4-tetrazol-5-yl)pyrrolidine-2-carboxylate

Systemtic Name: (2-phenylbenzimidazol-1-yl) 2-octyl-1-phenoxy-3-sulfanylidene-4-(2H-1,2,3,4-tetrazol-5-yl)pyrrolidine-2-carboxylate Openeye Name: (2-phenylbenzimidazol-1-yl) 2-octyl-1-phenoxy-4-(2H-tetrazol-5-yl)-3-thioxo-pyrrolidine-2-carboxylate CAS Name: 2-octyl-1-phenoxy-3-sulfanylidene-4-(2H-tetrazol-5-yl)-2-pyrrolidinecarboxylic acid (2-phenyl-1-benzimidazolyl) ester IUPAC Name: (2-phenylbenzimidazol-1-yl) 2-octyl-1-phenoxy-3-sulfanylidene-4-(2H-tetrazol-5-yl)pyrrolidine-2-carboxylate Traditional Name: 2-octyl-1-phenoxy-4-(2H-tetrazol-5-yl)-3-thioxo-pyrrolidine-2-carboxylic acid (2-phenylbenzimidazol-1-yl) ester Formula: C33H35N7O3S MolecularWeight: 609.7411

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCC1(C(=S)C(CN1OC2=CC=CC=C2)C3=NNN=N3)C(=O)ON4C5=CC=CC=C5N=C4C6=CC=CC=C6

Isomeric SMILES

CCCCCCCCC1(C(=S)C(CN1OC2=CC=CC=C2)C3=NNN=N3)C(=O)ON4C5=CC=CC=C5N=C4C6=CC=CC=C6

InChI

InChI=1S/C33H35N7O3S/c1-2-3-4-5-6-15-22-33(29(44)26(30-35-37-38-36-30)23-39(33)42-25-18-11-8-12-19-25)32(41)43-40-28-21-14-13-20-27(28)34-31(40)24-16-9-7-10-17-24/h7-14,16-21,26H,2-6,15,22-23H2,1H3,(H,35,36,37,38)