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

Systemtic Name: propan-2-yl 4-[2-(1-cyclopentyl-4,5-dimethyl-imidazol-2-yl)sulfanylethanoylamino]benzoate Openeye Name: isopropyl 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 propan-2-yl ester IUPAC Name: propan-2-yl 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 isopropyl ester Formula: C22H29N3O3S MolecularWeight: 415.54896

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(N(C(=N1)SCC(=O)NC2=CC=C(C=C2)C(=O)OC(C)C)C3CCCC3)C

Isomeric SMILES

CC1=C(N(C(=N1)SCC(=O)NC2=CC=C(C=C2)C(=O)OC(C)C)C3CCCC3)C

InChI

InChI=1S/C22H29N3O3S/c1-14(2)28-21(27)17-9-11-18(12-10-17)24-20(26)13-29-22-23-15(3)16(4)25(22)19-7-5-6-8-19/h9-12,14,19H,5-8,13H2,1-4H3,(H,24,26)