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

Systemtic Name: ethyl 2,4-dimethyl-5-[2-[[5-methyl-4-(phenylmethyl)-1H-imidazol-2-yl]sulfanyl]ethanoyl]-1H-pyrrole-3-carboxylate Openeye Name: ethyl 5-[2-[(4-benzyl-5-methyl-1H-imidazol-2-yl)sulfanyl]acetyl]-2,4-dimethyl-1H-pyrrole-3-carboxylate CAS Name: 2,4-dimethyl-5-[2-[[5-methyl-4-(phenylmethyl)-1H-imidazol-2-yl]thio]-1-oxoethyl]-1H-pyrrole-3-carboxylic acid ethyl ester IUPAC Name: ethyl 5-[2-[(4-benzyl-5-methyl-1H-imidazol-2-yl)sulfanyl]acetyl]-2,4-dimethyl-1H-pyrrole-3-carboxylate Traditional Name: 5-[2-[(4-benzyl-5-methyl-1H-imidazol-2-yl)thio]acetyl]-2,4-dimethyl-1H-pyrrole-3-carboxylic acid ethyl ester Formula: C22H25N3O3S MolecularWeight: 411.5172

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(NC(=C1C)C(=O)CSC2=NC(=C(N2)C)CC3=CC=CC=C3)C

Isomeric SMILES

CCOC(=O)C1=C(NC(=C1C)C(=O)CSC2=NC(=C(N2)C)CC3=CC=CC=C3)C

InChI

InChI=1S/C22H25N3O3S/c1-5-28-21(27)19-13(2)20(23-15(19)4)18(26)12-29-22-24-14(3)17(25-22)11-16-9-7-6-8-10-16/h6-10,23H,5,11-12H2,1-4H3,(H,24,25)