methyl 5-[[1-(1H-benzimidazol-2-yl)-3-methylsulfanyl-propyl]carbamoyl]-2,4-dimethyl-1H-pyrrole-3-carboxylate

Systemtic Name: methyl 5-[[1-(1H-benzimidazol-2-yl)-3-methylsulfanyl-propyl]carbamoyl]-2,4-dimethyl-1H-pyrrole-3-carboxylate Openeye Name: methyl 5-[[1-(1H-benzimidazol-2-yl)-3-methylsulfanyl-propyl]carbamoyl]-2,4-dimethyl-1H-pyrrole-3-carboxylate CAS Name: 5-[[[1-(1H-benzimidazol-2-yl)-3-(methylthio)propyl]amino]-oxomethyl]-2,4-dimethyl-1H-pyrrole-3-carboxylic acid methyl ester IUPAC Name: methyl 5-[[1-(1H-benzimidazol-2-yl)-3-methylsulfanylpropyl]carbamoyl]-2,4-dimethyl-1H-pyrrole-3-carboxylate Traditional Name: 5-[[1-(1H-benzimidazol-2-yl)-3-(methylthio)propyl]carbamoyl]-2,4-dimethyl-1H-pyrrole-3-carboxylic acid methyl ester Formula: C20H24N4O3S MolecularWeight: 400.49456

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(NC(=C1C(=O)OC)C)C(=O)NC(CCSC)C2=NC3=CC=CC=C3N2

Isomeric SMILES

CC1=C(NC(=C1C(=O)OC)C)C(=O)NC(CCSC)C2=NC3=CC=CC=C3N2

InChI

InChI=1S/C20H24N4O3S/c1-11-16(20(26)27-3)12(2)21-17(11)19(25)24-15(9-10-28-4)18-22-13-7-5-6-8-14(13)23-18/h5-8,15,21H,9-10H2,1-4H3,(H,22,23)(H,24,25)