butyl 4-[2-(1-cyclopentyl-4,5-dimethyl-imidazol-2-yl)sulfanylethanoylamino]benzoate

Systemtic Name: butyl 4-[2-(1-cyclopentyl-4,5-dimethyl-imidazol-2-yl)sulfanylethanoylamino]benzoate Openeye Name: butyl 4-[[2-(1-cyclopentyl-4,5-dimethyl-imidazol-2-yl)sulfanylacetyl]amino]benzoate CAS Name: 4-[[2-[(1-cyclopentyl-4,5-dimethyl-2-imidazolyl)thio]-1-oxoethyl]amino]benzoic acid butyl ester IUPAC Name: butyl 4-[[2-(1-cyclopentyl-4,5-dimethylimidazol-2-yl)sulfanylacetyl]amino]benzoate Traditional Name: 4-[[2-[(1-cyclopentyl-4,5-dimethyl-imidazol-2-yl)thio]acetyl]amino]benzoic acid butyl ester Formula: C23H31N3O3S MolecularWeight: 429.57554

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCOC(=O)C1=CC=C(C=C1)NC(=O)CSC2=NC(=C(N2C3CCCC3)C)C

Isomeric SMILES

CCCCOC(=O)C1=CC=C(C=C1)NC(=O)CSC2=NC(=C(N2C3CCCC3)C)C

InChI

InChI=1S/C23H31N3O3S/c1-4-5-14-29-22(28)18-10-12-19(13-11-18)25-21(27)15-30-23-24-16(2)17(3)26(23)20-8-6-7-9-20/h10-13,20H,4-9,14-15H2,1-3H3,(H,25,27)