tert-butyl 6-isothiocyanato-7-methyl-2,3-dihydroindole-1-carboxylate

Systemtic Name: tert-butyl 6-isothiocyanato-7-methyl-2,3-dihydroindole-1-carboxylate Openeye Name: tert-butyl 6-isothiocyanato-7-methyl-indoline-1-carboxylate CAS Name: 6-isothiocyanato-7-methyl-2,3-dihydroindole-1-carboxylic acid tert-butyl ester IUPAC Name: tert-butyl 6-isothiocyanato-7-methyl-2,3-dihydroindole-1-carboxylate Traditional Name: 6-isothiocyanato-7-methyl-indoline-1-carboxylic acid tert-butyl ester Formula: C15H18N2O2S MolecularWeight: 290.38062

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H18N2O2S/c1-10-12(16-9-20)6-5-11-7-8-17(13(10)11)14(18)19-15(2,3)4/h5-6H,7-8H2,1-4H3