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

Systemtic Name: methyl 2,4-dimethyl-5-[2-[1-(phenylmethyl)imidazol-2-yl]sulfanylethanoyl]-1H-pyrrole-3-carboxylate Openeye Name: methyl 5-[2-(1-benzylimidazol-2-yl)sulfanylacetyl]-2,4-dimethyl-1H-pyrrole-3-carboxylate CAS Name: 2,4-dimethyl-5-[1-oxo-2-[[1-(phenylmethyl)-2-imidazolyl]thio]ethyl]-1H-pyrrole-3-carboxylic acid methyl ester IUPAC Name: methyl 5-[2-(1-benzylimidazol-2-yl)sulfanylacetyl]-2,4-dimethyl-1H-pyrrole-3-carboxylate Traditional Name: 5-[2-[(1-benzylimidazol-2-yl)thio]acetyl]-2,4-dimethyl-1H-pyrrole-3-carboxylic acid methyl ester Formula: C20H21N3O3S MolecularWeight: 383.46404

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(NC(=C1C(=O)OC)C)C(=O)CSC2=NC=CN2CC3=CC=CC=C3

Isomeric SMILES

CC1=C(NC(=C1C(=O)OC)C)C(=O)CSC2=NC=CN2CC3=CC=CC=C3

InChI

InChI=1S/C20H21N3O3S/c1-13-17(19(25)26-3)14(2)22-18(13)16(24)12-27-20-21-9-10-23(20)11-15-7-5-4-6-8-15/h4-10,22H,11-12H2,1-3H3