ethyl 4-[2-[(6-ethoxy-1H-benzimidazol-2-yl)sulfanyl]ethanoyl]-2,5-dimethyl-1H-pyrrole-3-carboxylate

Systemtic Name: ethyl 4-[2-[(6-ethoxy-1H-benzimidazol-2-yl)sulfanyl]ethanoyl]-2,5-dimethyl-1H-pyrrole-3-carboxylate Openeye Name: ethyl 4-[2-[(6-ethoxy-1H-benzimidazol-2-yl)sulfanyl]acetyl]-2,5-dimethyl-1H-pyrrole-3-carboxylate CAS Name: 4-[2-[(6-ethoxy-1H-benzimidazol-2-yl)thio]-1-oxoethyl]-2,5-dimethyl-1H-pyrrole-3-carboxylic acid ethyl ester IUPAC Name: ethyl 4-[2-[(6-ethoxy-1H-benzimidazol-2-yl)sulfanyl]acetyl]-2,5-dimethyl-1H-pyrrole-3-carboxylate Traditional Name: 4-[2-[(6-ethoxy-1H-benzimidazol-2-yl)thio]acetyl]-2,5-dimethyl-1H-pyrrole-3-carboxylic acid ethyl ester Formula: C20H23N3O4S MolecularWeight: 401.47932

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC2=C(C=C1)N=C(N2)SCC(=O)C3=C(NC(=C3C(=O)OCC)C)C

Isomeric SMILES

CCOC1=CC2=C(C=C1)N=C(N2)SCC(=O)C3=C(NC(=C3C(=O)OCC)C)C

InChI

InChI=1S/C20H23N3O4S/c1-5-26-13-7-8-14-15(9-13)23-20(22-14)28-10-16(24)17-11(3)21-12(4)18(17)19(25)27-6-2/h7-9,21H,5-6,10H2,1-4H3,(H,22,23)