(4-nitrophenyl)methyl 2-[(2S,4R)-4-oxidanylpyrrolidin-2-yl]thiomorpholine-4-carboxylate

Systemtic Name: (4-nitrophenyl)methyl 2-[(2S,4R)-4-oxidanylpyrrolidin-2-yl]thiomorpholine-4-carboxylate Openeye Name: (4-nitrophenyl)methyl 2-[(2S,4R)-4-hydroxypyrrolidin-2-yl]thiomorpholine-4-carboxylate CAS Name: 2-[(2S,4R)-4-hydroxy-2-pyrrolidinyl]-4-thiomorpholinecarboxylic acid (4-nitrophenyl)methyl ester IUPAC Name: (4-nitrophenyl)methyl 2-[(2S,4R)-4-hydroxypyrrolidin-2-yl]thiomorpholine-4-carboxylate Traditional Name: 2-[(2S,4R)-4-hydroxypyrrolidin-2-yl]thiomorpholine-4-carboxylic acid (4-nitrobenzyl) ester Formula: C16H21N3O5S MolecularWeight: 367.42004

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Descriptors Computed from Structure

Canonical SMILES:

C1CSC(CN1C(=O)OCC2=CC=C(C=C2)[N+](=O)[O-])C3CC(CN3)O

Isomeric SMILES

C1CSC(CN1C(=O)OCC2=CC=C(C=C2)[N+](=O)[O-])[C@@H]3C[C@H](CN3)O

InChI

InChI=1S/C16H21N3O5S/c20-13-7-14(17-8-13)15-9-18(5-6-25-15)16(21)24-10-11-1-3-12(4-2-11)19(22)23/h1-4,13-15,17,20H,5-10H2/t13-,14+,15?/m1/s1