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

Systemtic Name: ethyl 5-[[1-(1H-benzimidazol-2-yl)-3-methylsulfanyl-propyl]carbamoyl]-2,4-dimethyl-1H-pyrrole-3-carboxylate Openeye Name: ethyl 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 ethyl ester IUPAC Name: ethyl 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 ethyl ester Formula: C21H26N4O3S MolecularWeight: 414.52114

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(NC(=C1C)C(=O)NC(CCSC)C2=NC3=CC=CC=C3N2)C

Isomeric SMILES

CCOC(=O)C1=C(NC(=C1C)C(=O)NC(CCSC)C2=NC3=CC=CC=C3N2)C

InChI

InChI=1S/C21H26N4O3S/c1-5-28-21(27)17-12(2)18(22-13(17)3)20(26)25-16(10-11-29-4)19-23-14-8-6-7-9-15(14)24-19/h6-9,16,22H,5,10-11H2,1-4H3,(H,23,24)(H,25,26)