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

Systemtic Name: methyl 2-[2-(1-cyclopentyl-4,5-dimethyl-imidazol-2-yl)sulfanylethanoylamino]benzoate Openeye Name: methyl 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 methyl ester IUPAC Name: methyl 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 methyl ester Formula: C20H25N3O3S MolecularWeight: 387.4958

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(N(C(=N1)SCC(=O)NC2=CC=CC=C2C(=O)OC)C3CCCC3)C

Isomeric SMILES

CC1=C(N(C(=N1)SCC(=O)NC2=CC=CC=C2C(=O)OC)C3CCCC3)C

InChI

InChI=1S/C20H25N3O3S/c1-13-14(2)23(15-8-4-5-9-15)20(21-13)27-12-18(24)22-17-11-7-6-10-16(17)19(25)26-3/h6-7,10-11,15H,4-5,8-9,12H2,1-3H3,(H,22,24)