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

Systemtic Name: ethyl 2,5-dimethyl-4-[2-(1-propylbenzimidazol-2-yl)sulfanylethanoyl]-1H-pyrrole-3-carboxylate Openeye Name: ethyl 2,5-dimethyl-4-[2-(1-propylbenzimidazol-2-yl)sulfanylacetyl]-1H-pyrrole-3-carboxylate CAS Name: 2,5-dimethyl-4-[1-oxo-2-[(1-propyl-2-benzimidazolyl)thio]ethyl]-1H-pyrrole-3-carboxylic acid ethyl ester IUPAC Name: ethyl 2,5-dimethyl-4-[2-(1-propylbenzimidazol-2-yl)sulfanylacetyl]-1H-pyrrole-3-carboxylate Traditional Name: 2,5-dimethyl-4-[2-[(1-propylbenzimidazol-2-yl)thio]acetyl]-1H-pyrrole-3-carboxylic acid ethyl ester Formula: C21H25N3O3S MolecularWeight: 399.5065

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Descriptors Computed from Structure

Canonical SMILES:

CCCN1C2=CC=CC=C2N=C1SCC(=O)C3=C(NC(=C3C(=O)OCC)C)C

Isomeric SMILES

CCCN1C2=CC=CC=C2N=C1SCC(=O)C3=C(NC(=C3C(=O)OCC)C)C

InChI

InChI=1S/C21H25N3O3S/c1-5-11-24-16-10-8-7-9-15(16)23-21(24)28-12-17(25)18-13(3)22-14(4)19(18)20(26)27-6-2/h7-10,22H,5-6,11-12H2,1-4H3