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

Systemtic Name: methyl 4-[(1-cyclopentyl-4,5-dimethyl-imidazol-2-yl)sulfanylmethyl]benzoate Openeye Name: methyl 4-[(1-cyclopentyl-4,5-dimethyl-imidazol-2-yl)sulfanylmethyl]benzoate CAS Name: 4-[[(1-cyclopentyl-4,5-dimethyl-2-imidazolyl)thio]methyl]benzoic acid methyl ester IUPAC Name: methyl 4-[(1-cyclopentyl-4,5-dimethylimidazol-2-yl)sulfanylmethyl]benzoate Traditional Name: 4-[[(1-cyclopentyl-4,5-dimethyl-imidazol-2-yl)thio]methyl]benzoic acid methyl ester Formula: C19H24N2O2S MolecularWeight: 344.47106

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(N(C(=N1)SCC2=CC=C(C=C2)C(=O)OC)C3CCCC3)C

Isomeric SMILES

CC1=C(N(C(=N1)SCC2=CC=C(C=C2)C(=O)OC)C3CCCC3)C

InChI

InChI=1S/C19H24N2O2S/c1-13-14(2)21(17-6-4-5-7-17)19(20-13)24-12-15-8-10-16(11-9-15)18(22)23-3/h8-11,17H,4-7,12H2,1-3H3