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

Systemtic Name: ethyl 2-[2-(1-cyclopentyl-4,5-dimethyl-imidazol-2-yl)sulfanylethanoylamino]benzoate Openeye Name: ethyl 2-[[2-(1-cyclopentyl-4,5-dimethyl-imidazol-2-yl)sulfanylacetyl]amino]benzoate CAS Name: 2-[[2-[(1-cyclopentyl-4,5-dimethyl-2-imidazolyl)thio]-1-oxoethyl]amino]benzoic acid ethyl ester IUPAC Name: ethyl 2-[[2-(1-cyclopentyl-4,5-dimethylimidazol-2-yl)sulfanylacetyl]amino]benzoate Traditional Name: 2-[[2-[(1-cyclopentyl-4,5-dimethyl-imidazol-2-yl)thio]acetyl]amino]benzoic acid ethyl ester Formula: C21H27N3O3S MolecularWeight: 401.52238

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC=CC=C1NC(=O)CSC2=NC(=C(N2C3CCCC3)C)C

Isomeric SMILES

CCOC(=O)C1=CC=CC=C1NC(=O)CSC2=NC(=C(N2C3CCCC3)C)C

InChI

InChI=1S/C21H27N3O3S/c1-4-27-20(26)17-11-7-8-12-18(17)23-19(25)13-28-21-22-14(2)15(3)24(21)16-9-5-6-10-16/h7-8,11-12,16H,4-6,9-10,13H2,1-3H3,(H,23,25)