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

Systemtic Name: 2-methylpropyl 4-[3-[(4,5-diphenyl-1H-imidazol-2-yl)sulfanyl]-2-oxidanylidene-propoxy]benzoate Openeye Name: isobutyl 4-[3-[(4,5-diphenyl-1H-imidazol-2-yl)sulfanyl]-2-oxo-propoxy]benzoate CAS Name: 4-[3-[(4,5-diphenyl-1H-imidazol-2-yl)thio]-2-oxopropoxy]benzoic acid 2-methylpropyl ester IUPAC Name: 2-methylpropyl 4-[3-[(4,5-diphenyl-1H-imidazol-2-yl)sulfanyl]-2-oxopropoxy]benzoate Traditional Name: 4-[3-[(4,5-diphenyl-1H-imidazol-2-yl)thio]-2-keto-propoxy]benzoic acid isobutyl ester Formula: C29H28N2O4S MolecularWeight: 500.60862

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C29H28N2O4S/c1-20(2)17-35-28(33)23-13-15-25(16-14-23)34-18-24(32)19-36-29-30-26(21-9-5-3-6-10-21)27(31-29)22-11-7-4-8-12-22/h3-16,20H,17-19H2,1-2H3,(H,30,31)