(phenylmethyl) 2-[[1-[(2-methylpropan-2-yl)oxy]-1-oxidanylidene-3-phenyl-propan-2-yl]carbamothioyl]pyrrolidine-1-carboxylate

Systemtic Name: (phenylmethyl) 2-[[1-[(2-methylpropan-2-yl)oxy]-1-oxidanylidene-3-phenyl-propan-2-yl]carbamothioyl]pyrrolidine-1-carboxylate Openeye Name: benzyl 2-[(1-benzyl-2-tert-butoxy-2-oxo-ethyl)carbamothioyl]pyrrolidine-1-carboxylate CAS Name: 2-[[[1-[(2-methylpropan-2-yl)oxy]-1-oxo-3-phenylpropan-2-yl]amino]-sulfanylidenemethyl]-1-pyrrolidinecarboxylic acid (phenylmethyl) ester IUPAC Name: benzyl 2-[[1-[(2-methylpropan-2-yl)oxy]-1-oxo-3-phenylpropan-2-yl]carbamothioyl]pyrrolidine-1-carboxylate Traditional Name: 2-[(1-benzyl-2-tert-butoxy-2-keto-ethyl)thiocarbamoyl]pyrrolidine-1-carboxylic acid benzyl ester Formula: C26H32N2O4S MolecularWeight: 468.60828

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)C(CC1=CC=CC=C1)NC(=S)C2CCCN2C(=O)OCC3=CC=CC=C3

Isomeric SMILES

CC(C)(C)OC(=O)C(CC1=CC=CC=C1)NC(=S)C2CCCN2C(=O)OCC3=CC=CC=C3

InChI

InChI=1S/C26H32N2O4S/c1-26(2,3)32-24(29)21(17-19-11-6-4-7-12-19)27-23(33)22-15-10-16-28(22)25(30)31-18-20-13-8-5-9-14-20/h4-9,11-14,21-22H,10,15-18H2,1-3H3,(H,27,33)