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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(NC(=C1C(=O)CSC2=NC=CN2C3=CC=CC(=C3)C)C)C

Isomeric SMILES

CCOC(=O)C1=C(NC(=C1C(=O)CSC2=NC=CN2C3=CC=CC(=C3)C)C)C

InChI

InChI=1S/C21H23N3O3S/c1-5-27-20(26)19-15(4)23-14(3)18(19)17(25)12-28-21-22-9-10-24(21)16-8-6-7-13(2)11-16/h6-11,23H,5,12H2,1-4H3