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

Systemtic Name: tert-butyl (2S)-2-[(1R)-1-imidazol-1-ylcarbothioyloxy-3-oxidanylidene-3-phenylmethoxy-propyl]pyrrolidine-1-carboxylate Openeye Name: tert-butyl (2S)-2-[(1R)-3-benzyloxy-1-(imidazole-1-carbothioyloxy)-3-oxo-propyl]pyrrolidine-1-carboxylate CAS Name: (2S)-2-[(1R)-1-[1-imidazolyl(sulfanylidene)methoxy]-3-oxo-3-phenylmethoxypropyl]-1-pyrrolidinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl (2S)-2-[(1R)-1-(imidazole-1-carbothioyloxy)-3-oxo-3-phenylmethoxypropyl]pyrrolidine-1-carboxylate Traditional Name: (2S)-2-[(1R)-3-benzoxy-1-(imidazole-1-carbothioyloxy)-3-keto-propyl]pyrrolidine-1-carboxylic acid tert-butyl ester Formula: C23H29N3O5S MolecularWeight: 459.55846

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)N1CCCC1C(CC(=O)OCC2=CC=CC=C2)OC(=S)N3C=CN=C3

Isomeric SMILES

CC(C)(C)OC(=O)N1CCC[C@H]1[C@@H](CC(=O)OCC2=CC=CC=C2)OC(=S)N3C=CN=C3

InChI

InChI=1S/C23H29N3O5S/c1-23(2,3)31-21(28)26-12-7-10-18(26)19(30-22(32)25-13-11-24-16-25)14-20(27)29-15-17-8-5-4-6-9-17/h4-6,8-9,11,13,16,18-19H,7,10,12,14-15H2,1-3H3/t18-,19+/m0/s1