butyl (2S,4R)-2-(1-oxidanyl-3-phenyl-prop-2-ynyl)-4-sulfanyl-pyrrolidine-1-carboxylate

Systemtic Name: butyl (2S,4R)-2-(1-oxidanyl-3-phenyl-prop-2-ynyl)-4-sulfanyl-pyrrolidine-1-carboxylate Openeye Name: butyl (2S,4R)-2-(1-hydroxy-3-phenyl-prop-2-ynyl)-4-sulfanyl-pyrrolidine-1-carboxylate CAS Name: (2S,4R)-2-(1-hydroxy-3-phenylprop-2-ynyl)-4-mercapto-1-pyrrolidinecarboxylic acid butyl ester IUPAC Name: butyl (2S,4R)-2-(1-hydroxy-3-phenylprop-2-ynyl)-4-sulfanylpyrrolidine-1-carboxylate Traditional Name: (2S,4R)-2-(1-hydroxy-3-phenyl-prop-2-ynyl)-4-mercapto-pyrrolidine-1-carboxylic acid butyl ester Formula: C18H23NO3S MolecularWeight: 333.44512

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC(=O)N1CC(CC1C(C#CC2=CC=CC=C2)O)S

Isomeric SMILES

CCCCOC(=O)N1C[C@@H](C[C@H]1C(C#CC2=CC=CC=C2)O)S

InChI

InChI=1S/C18H23NO3S/c1-2-3-11-22-18(21)19-13-15(23)12-16(19)17(20)10-9-14-7-5-4-6-8-14/h4-8,15-17,20,23H,2-3,11-13H2,1H3/t15-,16+,17?/m1/s1