tert-butyl 5-isothiocyanato-2,4-dimethyl-1,3-dihydrobenzimidazole-2-carboxylate

Systemtic Name: tert-butyl 5-isothiocyanato-2,4-dimethyl-1,3-dihydrobenzimidazole-2-carboxylate Openeye Name: tert-butyl 5-isothiocyanato-2,4-dimethyl-1,3-dihydrobenzimidazole-2-carboxylate CAS Name: 5-isothiocyanato-2,4-dimethyl-1,3-dihydrobenzimidazole-2-carboxylic acid tert-butyl ester IUPAC Name: tert-butyl 5-isothiocyanato-2,4-dimethyl-1,3-dihydrobenzimidazole-2-carboxylate Traditional Name: 5-isothiocyanato-2,4-dimethyl-1,3-dihydrobenzimidazole-2-carboxylic acid tert-butyl ester Formula: C15H19N3O2S MolecularWeight: 305.39526

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC2=C1NC(N2)(C)C(=O)OC(C)(C)C)N=C=S

Isomeric SMILES

CC1=C(C=CC2=C1NC(N2)(C)C(=O)OC(C)(C)C)N=C=S

InChI

InChI=1S/C15H19N3O2S/c1-9-10(16-8-21)6-7-11-12(9)18-15(5,17-11)13(19)20-14(2,3)4/h6-7,17-18H,1-5H3