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

Systemtic Name: methyl 5-[[1-(1H-benzimidazol-2-yl)-3-methylsulfanyl-propyl]carbamoyl]-2-ethyl-4-methyl-1H-pyrrole-3-carboxylate Openeye Name: methyl 5-[[1-(1H-benzimidazol-2-yl)-3-methylsulfanyl-propyl]carbamoyl]-2-ethyl-4-methyl-1H-pyrrole-3-carboxylate CAS Name: 5-[[[1-(1H-benzimidazol-2-yl)-3-(methylthio)propyl]amino]-oxomethyl]-2-ethyl-4-methyl-1H-pyrrole-3-carboxylic acid methyl ester IUPAC Name: methyl 5-[[1-(1H-benzimidazol-2-yl)-3-methylsulfanylpropyl]carbamoyl]-2-ethyl-4-methyl-1H-pyrrole-3-carboxylate Traditional Name: 5-[[1-(1H-benzimidazol-2-yl)-3-(methylthio)propyl]carbamoyl]-2-ethyl-4-methyl-1H-pyrrole-3-carboxylic acid methyl ester Formula: C21H26N4O3S MolecularWeight: 414.52114

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C(=C(N1)C(=O)NC(CCSC)C2=NC3=CC=CC=C3N2)C)C(=O)OC

Isomeric SMILES

CCC1=C(C(=C(N1)C(=O)NC(CCSC)C2=NC3=CC=CC=C3N2)C)C(=O)OC

InChI

InChI=1S/C21H26N4O3S/c1-5-13-17(21(27)28-3)12(2)18(22-13)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)