butyl (2S,4R)-2-(3-phenylpropanoyl)-4-sulfanyl-pyrrolidine-1-carboxylate

Systemtic Name: butyl (2S,4R)-2-(3-phenylpropanoyl)-4-sulfanyl-pyrrolidine-1-carboxylate Openeye Name: butyl (2S,4R)-2-(3-phenylpropanoyl)-4-sulfanyl-pyrrolidine-1-carboxylate CAS Name: (2S,4R)-4-mercapto-2-(1-oxo-3-phenylpropyl)-1-pyrrolidinecarboxylic acid butyl ester IUPAC Name: butyl (2S,4R)-2-(3-phenylpropanoyl)-4-sulfanylpyrrolidine-1-carboxylate Traditional Name: (2S,4R)-2-hydrocinnamoyl-4-mercapto-pyrrolidine-1-carboxylic acid butyl ester Formula: C18H25NO3S MolecularWeight: 335.461

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC(=O)N1CC(CC1C(=O)CCC2=CC=CC=C2)S

Isomeric SMILES

CCCCOC(=O)N1C[C@@H](C[C@H]1C(=O)CCC2=CC=CC=C2)S

InChI

InChI=1S/C18H25NO3S/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/h4-8,15-16,23H,2-3,9-13H2,1H3/t15-,16+/m1/s1