[(2S,3S,5R)-3-azido-5-(phenylmethylsulfanyl)thiolan-2-yl]methyl benzoate

Systemtic Name: [(2S,3S,5R)-3-azido-5-(phenylmethylsulfanyl)thiolan-2-yl]methyl benzoate Openeye Name: [(2S,3S,5R)-3-azido-5-benzylsulfanyl-tetrahydrothiophen-2-yl]methyl benzoate CAS Name: benzoic acid [(2S,3S,5R)-3-azido-5-(phenylmethylthio)-2-thiolanyl]methyl ester IUPAC Name: [(2S,3S,5R)-3-azido-5-benzylsulfanylthiolan-2-yl]methyl benzoate Traditional Name: benzoic acid [(2S,3S,5R)-3-azido-5-(benzylthio)tetrahydrothiophen-2-yl]methyl ester Formula: C19H19N3O2S2 MolecularWeight: 385.50306

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Descriptors Computed from Structure

Canonical SMILES:

C1C(C(SC1SCC2=CC=CC=C2)COC(=O)C3=CC=CC=C3)N=[N+]=[N-]

Isomeric SMILES

C1[C@@H]([C@H](S[C@H]1SCC2=CC=CC=C2)COC(=O)C3=CC=CC=C3)N=[N+]=[N-]

InChI

InChI=1S/C19H19N3O2S2/c20-22-21-16-11-18(25-13-14-7-3-1-4-8-14)26-17(16)12-24-19(23)15-9-5-2-6-10-15/h1-10,16-18H,11-13H2/t16-,17+,18+/m0/s1