methyl 3-[3-[2-(1-cyclopentyl-4,5-dimethyl-imidazol-2-yl)sulfanylethanoyl]-2,5-dimethyl-pyrrol-1-yl]propanoate

Systemtic Name: methyl 3-[3-[2-(1-cyclopentyl-4,5-dimethyl-imidazol-2-yl)sulfanylethanoyl]-2,5-dimethyl-pyrrol-1-yl]propanoate Openeye Name: methyl 3-[3-[2-(1-cyclopentyl-4,5-dimethyl-imidazol-2-yl)sulfanylacetyl]-2,5-dimethyl-pyrrol-1-yl]propanoate CAS Name: 3-[3-[2-[(1-cyclopentyl-4,5-dimethyl-2-imidazolyl)thio]-1-oxoethyl]-2,5-dimethyl-1-pyrrolyl]propanoic acid methyl ester IUPAC Name: methyl 3-[3-[2-(1-cyclopentyl-4,5-dimethylimidazol-2-yl)sulfanylacetyl]-2,5-dimethylpyrrol-1-yl]propanoate Traditional Name: 3-[3-[2-[(1-cyclopentyl-4,5-dimethyl-imidazol-2-yl)thio]acetyl]-2,5-dimethyl-pyrrol-1-yl]propionic acid methyl ester Formula: C22H31N3O3S MolecularWeight: 417.56484

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(N1CCC(=O)OC)C)C(=O)CSC2=NC(=C(N2C3CCCC3)C)C

Isomeric SMILES

CC1=CC(=C(N1CCC(=O)OC)C)C(=O)CSC2=NC(=C(N2C3CCCC3)C)C

InChI

InChI=1S/C22H31N3O3S/c1-14-12-19(17(4)24(14)11-10-21(27)28-5)20(26)13-29-22-23-15(2)16(3)25(22)18-8-6-7-9-18/h12,18H,6-11,13H2,1-5H3