tert-butyl 3-(4-isothiocyanatophenoxy)pyrrolidine-1-carboxylate

Systemtic Name: tert-butyl 3-(4-isothiocyanatophenoxy)pyrrolidine-1-carboxylate Openeye Name: tert-butyl 3-(4-isothiocyanatophenoxy)pyrrolidine-1-carboxylate CAS Name: 3-(4-isothiocyanatophenoxy)-1-pyrrolidinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 3-(4-isothiocyanatophenoxy)pyrrolidine-1-carboxylate Traditional Name: 3-(4-isothiocyanatophenoxy)pyrrolidine-1-carboxylic acid tert-butyl ester Formula: C16H20N2O3S MolecularWeight: 320.4066

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)N1CCC(C1)OC2=CC=C(C=C2)N=C=S

Isomeric SMILES

CC(C)(C)OC(=O)N1CCC(C1)OC2=CC=C(C=C2)N=C=S

InChI

InChI=1S/C16H20N2O3S/c1-16(2,3)21-15(19)18-9-8-14(10-18)20-13-6-4-12(5-7-13)17-11-22/h4-7,14H,8-10H2,1-3H3