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

Systemtic Name: tert-butyl 6-isothiocyanato-2,3-dihydroindole-1-carboxylate Openeye Name: tert-butyl 6-isothiocyanatoindoline-1-carboxylate CAS Name: 6-isothiocyanato-2,3-dihydroindole-1-carboxylic acid tert-butyl ester IUPAC Name: tert-butyl 6-isothiocyanato-2,3-dihydroindole-1-carboxylate Traditional Name: 6-isothiocyanatoindoline-1-carboxylic acid tert-butyl ester Formula: C14H16N2O2S MolecularWeight: 276.35404

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)N1CCC2=C1C=C(C=C2)N=C=S

Isomeric SMILES

CC(C)(C)OC(=O)N1CCC2=C1C=C(C=C2)N=C=S

InChI

InChI=1S/C14H16N2O2S/c1-14(2,3)18-13(17)16-7-6-10-4-5-11(15-9-19)8-12(10)16/h4-5,8H,6-7H2,1-3H3