2-methylpropyl 4-[(2E)-3-[(4,5-diphenyl-1H-imidazol-2-yl)sulfanyl]-2-pentoxyimino-propoxy]benzoate

Systemtic Name: 2-methylpropyl 4-[(2E)-3-[(4,5-diphenyl-1H-imidazol-2-yl)sulfanyl]-2-pentoxyimino-propoxy]benzoate Openeye Name: isobutyl 4-[(2E)-3-[(4,5-diphenyl-1H-imidazol-2-yl)sulfanyl]-2-pentoxyimino-propoxy]benzoate CAS Name: 4-[(2E)-3-[(4,5-diphenyl-1H-imidazol-2-yl)thio]-2-pentoxyiminopropoxy]benzoic acid 2-methylpropyl ester IUPAC Name: 2-methylpropyl 4-[(2E)-3-[(4,5-diphenyl-1H-imidazol-2-yl)sulfanyl]-2-pentoxyiminopropoxy]benzoate Traditional Name: 4-[(2E)-2-amyloximino-3-[(4,5-diphenyl-1H-imidazol-2-yl)thio]propoxy]benzoic acid isobutyl ester Formula: C34H39N3O4S MolecularWeight: 585.75616

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCON=C(COC1=CC=C(C=C1)C(=O)OCC(C)C)CSC2=NC(=C(N2)C3=CC=CC=C3)C4=CC=CC=C4

Isomeric SMILES

CCCCCO/N=C(\COC1=CC=C(C=C1)C(=O)OCC(C)C)/CSC2=NC(=C(N2)C3=CC=CC=C3)C4=CC=CC=C4

InChI

InChI=1S/C34H39N3O4S/c1-4-5-12-21-41-37-29(23-39-30-19-17-28(18-20-30)33(38)40-22-25(2)3)24-42-34-35-31(26-13-8-6-9-14-26)32(36-34)27-15-10-7-11-16-27/h6-11,13-20,25H,4-5,12,21-24H2,1-3H3,(H,35,36)/b37-29+