ethyl 5-[2-(1-cyclopentyl-4,5-dimethyl-imidazol-2-yl)sulfanylethanoyl]-2,4-dimethyl-1H-pyrrole-3-carboxylate

Systemtic Name: ethyl 5-[2-(1-cyclopentyl-4,5-dimethyl-imidazol-2-yl)sulfanylethanoyl]-2,4-dimethyl-1H-pyrrole-3-carboxylate Openeye Name: ethyl 5-[2-(1-cyclopentyl-4,5-dimethyl-imidazol-2-yl)sulfanylacetyl]-2,4-dimethyl-1H-pyrrole-3-carboxylate CAS Name: 5-[2-[(1-cyclopentyl-4,5-dimethyl-2-imidazolyl)thio]-1-oxoethyl]-2,4-dimethyl-1H-pyrrole-3-carboxylic acid ethyl ester IUPAC Name: ethyl 5-[2-(1-cyclopentyl-4,5-dimethylimidazol-2-yl)sulfanylacetyl]-2,4-dimethyl-1H-pyrrole-3-carboxylate Traditional Name: 5-[2-[(1-cyclopentyl-4,5-dimethyl-imidazol-2-yl)thio]acetyl]-2,4-dimethyl-1H-pyrrole-3-carboxylic acid ethyl ester Formula: C21H29N3O3S MolecularWeight: 403.53826

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(NC(=C1C)C(=O)CSC2=NC(=C(N2C3CCCC3)C)C)C

Isomeric SMILES

CCOC(=O)C1=C(NC(=C1C)C(=O)CSC2=NC(=C(N2C3CCCC3)C)C)C

InChI

InChI=1S/C21H29N3O3S/c1-6-27-20(26)18-12(2)19(22-14(18)4)17(25)11-28-21-23-13(3)15(5)24(21)16-9-7-8-10-16/h16,22H,6-11H2,1-5H3