ditert-butyl 2-[(E)-3-thiophen-2-ylprop-2-enyl]piperazine-1,4-dicarboxylate

Systemtic Name: ditert-butyl 2-[(E)-3-thiophen-2-ylprop-2-enyl]piperazine-1,4-dicarboxylate Openeye Name: ditert-butyl 2-[(E)-3-(2-thienyl)allyl]piperazine-1,4-dicarboxylate CAS Name: 2-[(E)-3-thiophen-2-ylprop-2-enyl]piperazine-1,4-dicarboxylic acid ditert-butyl ester IUPAC Name: ditert-butyl 2-[(E)-3-thiophen-2-ylprop-2-enyl]piperazine-1,4-dicarboxylate Traditional Name: 2-[(E)-3-(2-thienyl)allyl]piperazine-1,4-dicarboxylic acid ditert-butyl ester Formula: C21H32N2O4S MolecularWeight: 408.55478

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)N1CCN(C(C1)CC=CC2=CC=CS2)C(=O)OC(C)(C)C

Isomeric SMILES

CC(C)(C)OC(=O)N1CCN(C(C1)C/C=C/C2=CC=CS2)C(=O)OC(C)(C)C

InChI

InChI=1S/C21H32N2O4S/c1-20(2,3)26-18(24)22-12-13-23(19(25)27-21(4,5)6)16(15-22)9-7-10-17-11-8-14-28-17/h7-8,10-11,14,16H,9,12-13,15H2,1-6H3/b10-7+