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

Systemtic Name: ethyl 4-[2-(1H-benzimidazol-2-ylsulfanyl)ethanoyl]-2,5-dimethyl-1H-pyrrole-3-carboxylate Openeye Name: ethyl 4-[2-(1H-benzimidazol-2-ylsulfanyl)acetyl]-2,5-dimethyl-1H-pyrrole-3-carboxylate CAS Name: 4-[2-(1H-benzimidazol-2-ylthio)-1-oxoethyl]-2,5-dimethyl-1H-pyrrole-3-carboxylic acid ethyl ester IUPAC Name: ethyl 4-[2-(1H-benzimidazol-2-ylsulfanyl)acetyl]-2,5-dimethyl-1H-pyrrole-3-carboxylate Traditional Name: 4-[2-(1H-benzimidazol-2-ylthio)acetyl]-2,5-dimethyl-1H-pyrrole-3-carboxylic acid ethyl ester Formula: C18H19N3O3S MolecularWeight: 357.42676

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(NC(=C1C(=O)CSC2=NC3=CC=CC=C3N2)C)C

Isomeric SMILES

CCOC(=O)C1=C(NC(=C1C(=O)CSC2=NC3=CC=CC=C3N2)C)C

InChI

InChI=1S/C18H19N3O3S/c1-4-24-17(23)16-11(3)19-10(2)15(16)14(22)9-25-18-20-12-7-5-6-8-13(12)21-18/h5-8,19H,4,9H2,1-3H3,(H,20,21)