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

Systemtic Name: methyl 2,4-dimethyl-5-[(2S)-2-[1-(phenylmethyl)imidazol-2-yl]sulfanylpropanoyl]-1H-pyrrole-3-carboxylate Openeye Name: methyl 5-[(2S)-2-(1-benzylimidazol-2-yl)sulfanylpropanoyl]-2,4-dimethyl-1H-pyrrole-3-carboxylate CAS Name: 2,4-dimethyl-5-[(2S)-1-oxo-2-[[1-(phenylmethyl)-2-imidazolyl]thio]propyl]-1H-pyrrole-3-carboxylic acid methyl ester IUPAC Name: methyl 5-[(2S)-2-(1-benzylimidazol-2-yl)sulfanylpropanoyl]-2,4-dimethyl-1H-pyrrole-3-carboxylate Traditional Name: 5-[(2S)-2-[(1-benzylimidazol-2-yl)thio]propanoyl]-2,4-dimethyl-1H-pyrrole-3-carboxylic acid methyl ester Formula: C21H23N3O3S MolecularWeight: 397.49062

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(NC(=C1C(=O)OC)C)C(=O)C(C)SC2=NC=CN2CC3=CC=CC=C3

Isomeric SMILES

CC1=C(NC(=C1C(=O)OC)C)C(=O)[C@H](C)SC2=NC=CN2CC3=CC=CC=C3

InChI

InChI=1S/C21H23N3O3S/c1-13-17(20(26)27-4)14(2)23-18(13)19(25)15(3)28-21-22-10-11-24(21)12-16-8-6-5-7-9-16/h5-11,15,23H,12H2,1-4H3/t15-/m0/s1