tert-butyl 2-isothiocyanato-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate

Systemtic Name: tert-butyl 2-isothiocyanato-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Openeye Name: tert-butyl 2-isothiocyanato-4,5,6,7-tetrahydrobenzothiophene-3-carboxylate CAS Name: 2-isothiocyanato-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylic acid tert-butyl ester IUPAC Name: tert-butyl 2-isothiocyanato-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Traditional Name: 2-isothiocyanato-4,5,6,7-tetrahydrobenzothiophene-3-carboxylic acid tert-butyl ester Formula: C14H17NO2S2 MolecularWeight: 295.42028

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)C1=C(SC2=C1CCCC2)N=C=S

Isomeric SMILES

CC(C)(C)OC(=O)C1=C(SC2=C1CCCC2)N=C=S

InChI

InChI=1S/C14H17NO2S2/c1-14(2,3)17-13(16)11-9-6-4-5-7-10(9)19-12(11)15-8-18/h4-7H2,1-3H3