tert-butyl 4-isothiocyanato-7-methyl-2,3-dihydro-1H-indole-2-carboxylate

Systemtic Name: tert-butyl 4-isothiocyanato-7-methyl-2,3-dihydro-1H-indole-2-carboxylate Openeye Name: tert-butyl 4-isothiocyanato-7-methyl-indoline-2-carboxylate CAS Name: 4-isothiocyanato-7-methyl-2,3-dihydro-1H-indole-2-carboxylic acid tert-butyl ester IUPAC Name: tert-butyl 4-isothiocyanato-7-methyl-2,3-dihydro-1H-indole-2-carboxylate Traditional Name: 4-isothiocyanato-7-methyl-indoline-2-carboxylic acid tert-butyl ester Formula: C15H18N2O2S MolecularWeight: 290.38062

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C2C(=C(C=C1)N=C=S)CC(N2)C(=O)OC(C)(C)C

Isomeric SMILES

CC1=C2C(=C(C=C1)N=C=S)CC(N2)C(=O)OC(C)(C)C

InChI

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