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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(C(=C(N1)C)C(=O)CSC2=NC=CN2CC3=CC=CC=C3)C

Isomeric SMILES

CCOC(=O)C1=C(C(=C(N1)C)C(=O)CSC2=NC=CN2CC3=CC=CC=C3)C

InChI

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