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

Systemtic Name: ethyl 5-[(2S)-2-(1-cyclopentyl-4,5-dimethyl-imidazol-2-yl)sulfanylpropanoyl]-2,4-dimethyl-1H-pyrrole-3-carboxylate Openeye Name: ethyl 5-[(2S)-2-(1-cyclopentyl-4,5-dimethyl-imidazol-2-yl)sulfanylpropanoyl]-2,4-dimethyl-1H-pyrrole-3-carboxylate CAS Name: 5-[(2S)-2-[(1-cyclopentyl-4,5-dimethyl-2-imidazolyl)thio]-1-oxopropyl]-2,4-dimethyl-1H-pyrrole-3-carboxylic acid ethyl ester IUPAC Name: ethyl 5-[(2S)-2-(1-cyclopentyl-4,5-dimethylimidazol-2-yl)sulfanylpropanoyl]-2,4-dimethyl-1H-pyrrole-3-carboxylate Traditional Name: 5-[(2S)-2-[(1-cyclopentyl-4,5-dimethyl-imidazol-2-yl)thio]propanoyl]-2,4-dimethyl-1H-pyrrole-3-carboxylic acid ethyl ester Formula: C22H31N3O3S MolecularWeight: 417.56484

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(NC(=C1C)C(=O)C(C)SC2=NC(=C(N2C3CCCC3)C)C)C

Isomeric SMILES

CCOC(=O)C1=C(NC(=C1C)C(=O)[C@H](C)SC2=NC(=C(N2C3CCCC3)C)C)C

InChI

InChI=1S/C22H31N3O3S/c1-7-28-21(27)18-12(2)19(23-14(18)4)20(26)16(6)29-22-24-13(3)15(5)25(22)17-10-8-9-11-17/h16-17,23H,7-11H2,1-6H3/t16-/m0/s1