O1-tert-butyl O2-ethyl (2S,4S)-5-oxidanylidene-4-(phenylmethyl)-4-phenylsulfanyl-pyrrolidine-1,2-dicarboxylate

Systemtic Name: O1-tert-butyl O2-ethyl (2S,4S)-5-oxidanylidene-4-(phenylmethyl)-4-phenylsulfanyl-pyrrolidine-1,2-dicarboxylate Openeye Name: O1-tert-butyl O2-ethyl (2S,4S)-4-benzyl-5-oxo-4-phenylsulfanyl-pyrrolidine-1,2-dicarboxylate CAS Name: (2S,4S)-5-oxo-4-(phenylmethyl)-4-(phenylthio)pyrrolidine-1,2-dicarboxylic acid O1-tert-butyl ester O2-ethyl ester IUPAC Name: 1-O-tert-butyl 2-O-ethyl (2S,4S)-4-benzyl-5-oxo-4-phenylsulfanylpyrrolidine-1,2-dicarboxylate Traditional Name: (2S,4S)-4-benzyl-5-keto-4-(phenylthio)pyrrolidine-1,2-dicarboxylic acid O1-tert-butyl ester O2-ethyl ester Formula: C25H29NO5S MolecularWeight: 455.56646

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1CC(C(=O)N1C(=O)OC(C)(C)C)(CC2=CC=CC=C2)SC3=CC=CC=C3

Isomeric SMILES

CCOC(=O)[C@@H]1C[C@](C(=O)N1C(=O)OC(C)(C)C)(CC2=CC=CC=C2)SC3=CC=CC=C3

InChI

InChI=1S/C25H29NO5S/c1-5-30-21(27)20-17-25(16-18-12-8-6-9-13-18,32-19-14-10-7-11-15-19)22(28)26(20)23(29)31-24(2,3)4/h6-15,20H,5,16-17H2,1-4H3/t20-,25-/m0/s1