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

Systemtic Name: methyl 5-[2-(1H-benzimidazol-2-ylsulfanyl)ethanoyl]-2,4-dimethyl-1H-pyrrole-3-carboxylate Openeye Name: methyl 5-[2-(1H-benzimidazol-2-ylsulfanyl)acetyl]-2,4-dimethyl-1H-pyrrole-3-carboxylate CAS Name: 5-[2-(1H-benzimidazol-2-ylthio)-1-oxoethyl]-2,4-dimethyl-1H-pyrrole-3-carboxylic acid methyl ester IUPAC Name: methyl 5-[2-(1H-benzimidazol-2-ylsulfanyl)acetyl]-2,4-dimethyl-1H-pyrrole-3-carboxylate Traditional Name: 5-[2-(1H-benzimidazol-2-ylthio)acetyl]-2,4-dimethyl-1H-pyrrole-3-carboxylic acid methyl ester Formula: C17H17N3O3S MolecularWeight: 343.40018

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(NC(=C1C(=O)OC)C)C(=O)CSC2=NC3=CC=CC=C3N2

Isomeric SMILES

CC1=C(NC(=C1C(=O)OC)C)C(=O)CSC2=NC3=CC=CC=C3N2

InChI

InChI=1S/C17H17N3O3S/c1-9-14(16(22)23-3)10(2)18-15(9)13(21)8-24-17-19-11-6-4-5-7-12(11)20-17/h4-7,18H,8H2,1-3H3,(H,19,20)