(phenylmethyl) 3-[[(2-methylpropan-2-yl)oxycarbonylamino]-(1,3-thiazol-2-yl)methyl]pyrrolidine-1-carboxylate

Systemtic Name: (phenylmethyl) 3-[[(2-methylpropan-2-yl)oxycarbonylamino]-(1,3-thiazol-2-yl)methyl]pyrrolidine-1-carboxylate Openeye Name: benzyl 3-[(tert-butoxycarbonylamino)-thiazol-2-yl-methyl]pyrrolidine-1-carboxylate CAS Name: 3-[[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]-(2-thiazolyl)methyl]-1-pyrrolidinecarboxylic acid (phenylmethyl) ester IUPAC Name: benzyl 3-[[(2-methylpropan-2-yl)oxycarbonylamino]-(1,3-thiazol-2-yl)methyl]pyrrolidine-1-carboxylate Traditional Name: 3-[(tert-butoxycarbonylamino)-thiazol-2-yl-methyl]pyrrolidine-1-carboxylic acid benzyl ester Formula: C21H27N3O4S MolecularWeight: 417.52178

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)NC(C1CCN(C1)C(=O)OCC2=CC=CC=C2)C3=NC=CS3

Isomeric SMILES

CC(C)(C)OC(=O)NC(C1CCN(C1)C(=O)OCC2=CC=CC=C2)C3=NC=CS3

InChI

InChI=1S/C21H27N3O4S/c1-21(2,3)28-19(25)23-17(18-22-10-12-29-18)16-9-11-24(13-16)20(26)27-14-15-7-5-4-6-8-15/h4-8,10,12,16-17H,9,11,13-14H2,1-3H3,(H,23,25)