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

Systemtic Name: methyl 2,4-dimethyl-5-[2-[(6-methyl-1H-benzimidazol-2-yl)sulfanyl]ethanoyl]-1H-pyrrole-3-carboxylate Openeye Name: methyl 2,4-dimethyl-5-[2-[(6-methyl-1H-benzimidazol-2-yl)sulfanyl]acetyl]-1H-pyrrole-3-carboxylate CAS Name: 2,4-dimethyl-5-[2-[(6-methyl-1H-benzimidazol-2-yl)thio]-1-oxoethyl]-1H-pyrrole-3-carboxylic acid methyl ester IUPAC Name: methyl 2,4-dimethyl-5-[2-[(6-methyl-1H-benzimidazol-2-yl)sulfanyl]acetyl]-1H-pyrrole-3-carboxylate Traditional Name: 2,4-dimethyl-5-[2-[(6-methyl-1H-benzimidazol-2-yl)thio]acetyl]-1H-pyrrole-3-carboxylic acid methyl ester Formula: C18H19N3O3S MolecularWeight: 357.42676

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1)N=C(N2)SCC(=O)C3=C(C(=C(N3)C)C(=O)OC)C

Isomeric SMILES

CC1=CC2=C(C=C1)N=C(N2)SCC(=O)C3=C(C(=C(N3)C)C(=O)OC)C

InChI

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