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

Systemtic Name: ethyl 2,4-dimethyl-5-[2-(1-methyl-5-phenyl-imidazol-2-yl)sulfanylpropanoyl]-1H-pyrrole-3-carboxylate Openeye Name: ethyl 2,4-dimethyl-5-[2-(1-methyl-5-phenyl-imidazol-2-yl)sulfanylpropanoyl]-1H-pyrrole-3-carboxylate CAS Name: 2,4-dimethyl-5-[2-[(1-methyl-5-phenyl-2-imidazolyl)thio]-1-oxopropyl]-1H-pyrrole-3-carboxylic acid ethyl ester IUPAC Name: ethyl 2,4-dimethyl-5-[2-(1-methyl-5-phenylimidazol-2-yl)sulfanylpropanoyl]-1H-pyrrole-3-carboxylate Traditional Name: 2,4-dimethyl-5-[2-[(1-methyl-5-phenyl-imidazol-2-yl)thio]propanoyl]-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)C(C)SC2=NC=C(N2C)C3=CC=CC=C3)C

Isomeric SMILES

CCOC(=O)C1=C(NC(=C1C)C(=O)C(C)SC2=NC=C(N2C)C3=CC=CC=C3)C

InChI

InChI=1S/C22H25N3O3S/c1-6-28-21(27)18-13(2)19(24-14(18)3)20(26)15(4)29-22-23-12-17(25(22)5)16-10-8-7-9-11-16/h7-12,15,24H,6H2,1-5H3