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

Systemtic Name: ethyl 2,5-dimethyl-4-[2-[(6-methyl-1H-benzimidazol-2-yl)sulfanyl]ethanoyl]-1H-pyrrole-3-carboxylate Openeye Name: ethyl 2,5-dimethyl-4-[2-[(6-methyl-1H-benzimidazol-2-yl)sulfanyl]acetyl]-1H-pyrrole-3-carboxylate CAS Name: 2,5-dimethyl-4-[2-[(6-methyl-1H-benzimidazol-2-yl)thio]-1-oxoethyl]-1H-pyrrole-3-carboxylic acid ethyl ester IUPAC Name: ethyl 2,5-dimethyl-4-[2-[(6-methyl-1H-benzimidazol-2-yl)sulfanyl]acetyl]-1H-pyrrole-3-carboxylate Traditional Name: 2,5-dimethyl-4-[2-[(6-methyl-1H-benzimidazol-2-yl)thio]acetyl]-1H-pyrrole-3-carboxylic acid ethyl ester Formula: C19H21N3O3S MolecularWeight: 371.45334

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(NC(=C1C(=O)CSC2=NC3=C(N2)C=C(C=C3)C)C)C

Isomeric SMILES

CCOC(=O)C1=C(NC(=C1C(=O)CSC2=NC3=C(N2)C=C(C=C3)C)C)C

InChI

InChI=1S/C19H21N3O3S/c1-5-25-18(24)17-12(4)20-11(3)16(17)15(23)9-26-19-21-13-7-6-10(2)8-14(13)22-19/h6-8,20H,5,9H2,1-4H3,(H,21,22)