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

Systemtic Name: ethyl 2,4-dimethyl-5-[2-(2-pentylsulfanylbenzimidazol-1-yl)ethanoyl]-1H-pyrrole-3-carboxylate Openeye Name: ethyl 2,4-dimethyl-5-[2-(2-pentylsulfanylbenzimidazol-1-yl)acetyl]-1H-pyrrole-3-carboxylate CAS Name: 2,4-dimethyl-5-[1-oxo-2-[2-(pentylthio)-1-benzimidazolyl]ethyl]-1H-pyrrole-3-carboxylic acid ethyl ester IUPAC Name: ethyl 2,4-dimethyl-5-[2-(2-pentylsulfanylbenzimidazol-1-yl)acetyl]-1H-pyrrole-3-carboxylate Traditional Name: 5-[2-[2-(amylthio)benzimidazol-1-yl]acetyl]-2,4-dimethyl-1H-pyrrole-3-carboxylic acid ethyl ester Formula: C23H29N3O3S MolecularWeight: 427.55966

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCSC1=NC2=CC=CC=C2N1CC(=O)C3=C(C(=C(N3)C)C(=O)OCC)C

Isomeric SMILES

CCCCCSC1=NC2=CC=CC=C2N1CC(=O)C3=C(C(=C(N3)C)C(=O)OCC)C

InChI

InChI=1S/C23H29N3O3S/c1-5-7-10-13-30-23-25-17-11-8-9-12-18(17)26(23)14-19(27)21-15(3)20(16(4)24-21)22(28)29-6-2/h8-9,11-12,24H,5-7,10,13-14H2,1-4H3