2-methylundecyl 2-(1,3-thiazol-4-yl)benzimidazole-1-carboxylate

Systemtic Name: 2-methylundecyl 2-(1,3-thiazol-4-yl)benzimidazole-1-carboxylate Openeye Name: 2-methylundecyl 2-thiazol-4-ylbenzimidazole-1-carboxylate CAS Name: 2-(4-thiazolyl)-1-benzimidazolecarboxylic acid 2-methylundecyl ester IUPAC Name: 2-methylundecyl 2-(1,3-thiazol-4-yl)benzimidazole-1-carboxylate Traditional Name: 2-thiazol-4-ylbenzimidazole-1-carboxylic acid 2-methylundecyl ester Formula: C23H31N3O2S MolecularWeight: 413.57614

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCC(C)COC(=O)N1C2=CC=CC=C2N=C1C3=CSC=N3

Isomeric SMILES

CCCCCCCCCC(C)COC(=O)N1C2=CC=CC=C2N=C1C3=CSC=N3

InChI

InChI=1S/C23H31N3O2S/c1-3-4-5-6-7-8-9-12-18(2)15-28-23(27)26-21-14-11-10-13-19(21)25-22(26)20-16-29-17-24-20/h10-11,13-14,16-18H,3-9,12,15H2,1-2H3