tert-butyl 4-[3-(5-isocyanothiophen-2-yl)propyl]piperazine-1-carboxylate

Systemtic Name: tert-butyl 4-[3-(5-isocyanothiophen-2-yl)propyl]piperazine-1-carboxylate Openeye Name: tert-butyl 4-[3-(5-isocyano-2-thienyl)propyl]piperazine-1-carboxylate CAS Name: 4-[3-(5-isocyano-2-thiophenyl)propyl]-1-piperazinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 4-[3-(5-isocyanothiophen-2-yl)propyl]piperazine-1-carboxylate Traditional Name: 4-[3-(5-isocyano-2-thienyl)propyl]piperazine-1-carboxylic acid tert-butyl ester Formula: C17H25N3O2S MolecularWeight: 335.4643

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)N1CCN(CC1)CCCC2=CC=C(S2)[N+]#[C-]

Isomeric SMILES

CC(C)(C)OC(=O)N1CCN(CC1)CCCC2=CC=C(S2)[N+]#[C-]

InChI

InChI=1S/C17H25N3O2S/c1-17(2,3)22-16(21)20-12-10-19(11-13-20)9-5-6-14-7-8-15(18-4)23-14/h7-8H,5-6,9-13H2,1-3H3