methyl 4-[2,5-dimethyl-3-[2-(1-propylimidazol-2-yl)sulfanylethanoyl]pyrrol-1-yl]benzoate

Systemtic Name: methyl 4-[2,5-dimethyl-3-[2-(1-propylimidazol-2-yl)sulfanylethanoyl]pyrrol-1-yl]benzoate Openeye Name: methyl 4-[2,5-dimethyl-3-[2-(1-propylimidazol-2-yl)sulfanylacetyl]pyrrol-1-yl]benzoate CAS Name: 4-[2,5-dimethyl-3-[1-oxo-2-[(1-propyl-2-imidazolyl)thio]ethyl]-1-pyrrolyl]benzoic acid methyl ester IUPAC Name: methyl 4-[2,5-dimethyl-3-[2-(1-propylimidazol-2-yl)sulfanylacetyl]pyrrol-1-yl]benzoate Traditional Name: 4-[2,5-dimethyl-3-[2-[(1-propylimidazol-2-yl)thio]acetyl]pyrrol-1-yl]benzoic acid methyl ester Formula: C22H25N3O3S MolecularWeight: 411.5172

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Descriptors Computed from Structure

Canonical SMILES:

CCCN1C=CN=C1SCC(=O)C2=C(N(C(=C2)C)C3=CC=C(C=C3)C(=O)OC)C

Isomeric SMILES

CCCN1C=CN=C1SCC(=O)C2=C(N(C(=C2)C)C3=CC=C(C=C3)C(=O)OC)C

InChI

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