tert-butyl 4-[2-[2-(phenylmethoxycarbonylamino)-1,3-thiazol-4-yl]ethanoyl]piperazine-1-carboxylate

Systemtic Name: tert-butyl 4-[2-[2-(phenylmethoxycarbonylamino)-1,3-thiazol-4-yl]ethanoyl]piperazine-1-carboxylate Openeye Name: tert-butyl 4-[2-[2-(benzyloxycarbonylamino)thiazol-4-yl]acetyl]piperazine-1-carboxylate CAS Name: 4-[1-oxo-2-[2-(phenylmethoxycarbonylamino)-4-thiazolyl]ethyl]-1-piperazinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 4-[2-[2-(phenylmethoxycarbonylamino)-1,3-thiazol-4-yl]acetyl]piperazine-1-carboxylate Traditional Name: 4-[2-[2-(benzyloxycarbonylamino)thiazol-4-yl]acetyl]piperazine-1-carboxylic acid tert-butyl ester Formula: C22H28N4O5S MolecularWeight: 460.54652

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)N1CCN(CC1)C(=O)CC2=CSC(=N2)NC(=O)OCC3=CC=CC=C3

Isomeric SMILES

CC(C)(C)OC(=O)N1CCN(CC1)C(=O)CC2=CSC(=N2)NC(=O)OCC3=CC=CC=C3

InChI

InChI=1S/C22H28N4O5S/c1-22(2,3)31-21(29)26-11-9-25(10-12-26)18(27)13-17-15-32-19(23-17)24-20(28)30-14-16-7-5-4-6-8-16/h4-8,15H,9-14H2,1-3H3,(H,23,24,28)