ethyl 3-[[1-(1,3-thiazol-4-ylmethyl)benzimidazol-2-yl]amino]pyrrolidine-1-carboxylate

Systemtic Name: ethyl 3-[[1-(1,3-thiazol-4-ylmethyl)benzimidazol-2-yl]amino]pyrrolidine-1-carboxylate Openeye Name: ethyl 3-[[1-(thiazol-4-ylmethyl)benzimidazol-2-yl]amino]pyrrolidine-1-carboxylate CAS Name: 3-[[1-(4-thiazolylmethyl)-2-benzimidazolyl]amino]-1-pyrrolidinecarboxylic acid ethyl ester IUPAC Name: ethyl 3-[[1-(1,3-thiazol-4-ylmethyl)benzimidazol-2-yl]amino]pyrrolidine-1-carboxylate Traditional Name: 3-[[1-(thiazol-4-ylmethyl)benzimidazol-2-yl]amino]pyrrolidine-1-carboxylic acid ethyl ester Formula: C18H21N5O2S MolecularWeight: 371.45664

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)N1CCC(C1)NC2=NC3=CC=CC=C3N2CC4=CSC=N4

Isomeric SMILES

CCOC(=O)N1CCC(C1)NC2=NC3=CC=CC=C3N2CC4=CSC=N4

InChI

InChI=1S/C18H21N5O2S/c1-2-25-18(24)22-8-7-13(9-22)20-17-21-15-5-3-4-6-16(15)23(17)10-14-11-26-12-19-14/h3-6,11-13H,2,7-10H2,1H3,(H,20,21)