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

Systemtic Name: methyl 5-[(2S)-2-(1-cyclopentyl-4,5-dimethyl-imidazol-2-yl)sulfanylpropanoyl]-2,4-dimethyl-1H-pyrrole-3-carboxylate Openeye Name: methyl 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 methyl ester IUPAC Name: methyl 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 methyl ester Formula: C21H29N3O3S MolecularWeight: 403.53826

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(NC(=C1C(=O)OC)C)C(=O)C(C)SC2=NC(=C(N2C3CCCC3)C)C

Isomeric SMILES

CC1=C(NC(=C1C(=O)OC)C)C(=O)[C@H](C)SC2=NC(=C(N2C3CCCC3)C)C

InChI

InChI=1S/C21H29N3O3S/c1-11-17(20(26)27-6)13(3)22-18(11)19(25)15(5)28-21-23-12(2)14(4)24(21)16-9-7-8-10-16/h15-16,22H,7-10H2,1-6H3/t15-/m0/s1