tert-butyl 2-[(4-isothiocyanatophenoxy)methyl]pyrrolidine-1-carboxylate

Systemtic Name: tert-butyl 2-[(4-isothiocyanatophenoxy)methyl]pyrrolidine-1-carboxylate Openeye Name: tert-butyl 2-[(4-isothiocyanatophenoxy)methyl]pyrrolidine-1-carboxylate CAS Name: 2-[(4-isothiocyanatophenoxy)methyl]-1-pyrrolidinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 2-[(4-isothiocyanatophenoxy)methyl]pyrrolidine-1-carboxylate Traditional Name: 2-[(4-isothiocyanatophenoxy)methyl]pyrrolidine-1-carboxylic acid tert-butyl ester Formula: C17H22N2O3S MolecularWeight: 334.43318

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)N1CCCC1COC2=CC=C(C=C2)N=C=S

Isomeric SMILES

CC(C)(C)OC(=O)N1CCCC1COC2=CC=C(C=C2)N=C=S

InChI

InChI=1S/C17H22N2O3S/c1-17(2,3)22-16(20)19-10-4-5-14(19)11-21-15-8-6-13(7-9-15)18-12-23/h6-9,14H,4-5,10-11H2,1-3H3