(4-methoxyphenyl)methyl (2S,4S)-2-[(2-oxidanylidenepyrrolidin-1-yl)methyl]-4-sulfanyl-pyrrolidine-1-carboxylate

Systemtic Name: (4-methoxyphenyl)methyl (2S,4S)-2-[(2-oxidanylidenepyrrolidin-1-yl)methyl]-4-sulfanyl-pyrrolidine-1-carboxylate Openeye Name: (4-methoxyphenyl)methyl (2S,4S)-2-[(2-oxopyrrolidin-1-yl)methyl]-4-sulfanyl-pyrrolidine-1-carboxylate CAS Name: (2S,4S)-4-mercapto-2-[(2-oxo-1-pyrrolidinyl)methyl]-1-pyrrolidinecarboxylic acid (4-methoxyphenyl)methyl ester IUPAC Name: (4-methoxyphenyl)methyl (2S,4S)-2-[(2-oxopyrrolidin-1-yl)methyl]-4-sulfanylpyrrolidine-1-carboxylate Traditional Name: (2S,4S)-2-[(2-ketopyrrolidino)methyl]-4-mercapto-pyrrolidine-1-carboxylic acid p-anisyl ester Formula: C18H24N2O4S MolecularWeight: 364.45916

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)COC(=O)N2CC(CC2CN3CCCC3=O)S

Isomeric SMILES

COC1=CC=C(C=C1)COC(=O)N2C[C@H](C[C@H]2CN3CCCC3=O)S

InChI

InChI=1S/C18H24N2O4S/c1-23-15-6-4-13(5-7-15)12-24-18(22)20-11-16(25)9-14(20)10-19-8-2-3-17(19)21/h4-7,14,16,25H,2-3,8-12H2,1H3/t14-,16-/m0/s1