tert-butyl 6-isothiocyanato-2,7-dimethyl-3H-benzimidazole-5-carboxylate

Systemtic Name: tert-butyl 6-isothiocyanato-2,7-dimethyl-3H-benzimidazole-5-carboxylate Openeye Name: tert-butyl 6-isothiocyanato-2,7-dimethyl-3H-benzimidazole-5-carboxylate CAS Name: 6-isothiocyanato-2,7-dimethyl-3H-benzimidazole-5-carboxylic acid tert-butyl ester IUPAC Name: tert-butyl 6-isothiocyanato-2,7-dimethyl-3H-benzimidazole-5-carboxylate Traditional Name: 6-isothiocyanato-2,7-dimethyl-3H-benzimidazole-5-carboxylic acid tert-butyl ester Formula: C15H17N3O2S MolecularWeight: 303.37938

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=CC2=C1N=C(N2)C)C(=O)OC(C)(C)C)N=C=S

Isomeric SMILES

CC1=C(C(=CC2=C1N=C(N2)C)C(=O)OC(C)(C)C)N=C=S

InChI

InChI=1S/C15H17N3O2S/c1-8-12(16-7-21)10(14(19)20-15(3,4)5)6-11-13(8)18-9(2)17-11/h6H,1-5H3,(H,17,18)