tert-butyl (2S)-2-[(1R,2R)-1-imidazol-1-ylcarbothioyloxy-2-methyl-3-oxidanylidene-3-phenylmethoxy-propyl]pyrrolidine-1-carboxylate

Systemtic Name: tert-butyl (2S)-2-[(1R,2R)-1-imidazol-1-ylcarbothioyloxy-2-methyl-3-oxidanylidene-3-phenylmethoxy-propyl]pyrrolidine-1-carboxylate Openeye Name: tert-butyl (2S)-2-[(1R,2R)-3-benzyloxy-1-(imidazole-1-carbothioyloxy)-2-methyl-3-oxo-propyl]pyrrolidine-1-carboxylate CAS Name: (2S)-2-[(1R,2R)-1-[1-imidazolyl(sulfanylidene)methoxy]-2-methyl-3-oxo-3-phenylmethoxypropyl]-1-pyrrolidinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl (2S)-2-[(1R,2R)-1-(imidazole-1-carbothioyloxy)-2-methyl-3-oxo-3-phenylmethoxypropyl]pyrrolidine-1-carboxylate Traditional Name: (2S)-2-[(1R,2R)-3-benzoxy-1-(imidazole-1-carbothioyloxy)-3-keto-2-methyl-propyl]pyrrolidine-1-carboxylic acid tert-butyl ester Formula: C24H31N3O5S MolecularWeight: 473.58504

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(C1CCCN1C(=O)OC(C)(C)C)OC(=S)N2C=CN=C2)C(=O)OCC3=CC=CC=C3

Isomeric SMILES

C[C@H]([C@H]([C@@H]1CCCN1C(=O)OC(C)(C)C)OC(=S)N2C=CN=C2)C(=O)OCC3=CC=CC=C3

InChI

InChI=1S/C24H31N3O5S/c1-17(21(28)30-15-18-9-6-5-7-10-18)20(31-23(33)26-14-12-25-16-26)19-11-8-13-27(19)22(29)32-24(2,3)4/h5-7,9-10,12,14,16-17,19-20H,8,11,13,15H2,1-4H3/t17-,19+,20-/m1/s1