tert-butyl 4-fluoranyl-6-isothiocyanato-7-methyl-1H-benzimidazole-2-carboxylate

Systemtic Name: tert-butyl 4-fluoranyl-6-isothiocyanato-7-methyl-1H-benzimidazole-2-carboxylate Openeye Name: tert-butyl 4-fluoro-6-isothiocyanato-7-methyl-1H-benzimidazole-2-carboxylate CAS Name: 4-fluoro-6-isothiocyanato-7-methyl-1H-benzimidazole-2-carboxylic acid tert-butyl ester IUPAC Name: tert-butyl 4-fluoro-6-isothiocyanato-7-methyl-1H-benzimidazole-2-carboxylate Traditional Name: 4-fluoro-6-isothiocyanato-7-methyl-1H-benzimidazole-2-carboxylic acid tert-butyl ester Formula: C14H14FN3O2S MolecularWeight: 307.343263

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C2C(=C(C=C1N=C=S)F)N=C(N2)C(=O)OC(C)(C)C

Isomeric SMILES

CC1=C2C(=C(C=C1N=C=S)F)N=C(N2)C(=O)OC(C)(C)C

InChI

InChI=1S/C14H14FN3O2S/c1-7-9(16-6-21)5-8(15)11-10(7)17-12(18-11)13(19)20-14(2,3)4/h5H,1-4H3,(H,17,18)