[(2R,4R,5R,6S)-4-azido-6-methyl-5-phenylmethoxy-oxan-2-yl] N,N-diethylcarbamodithioate

Systemtic Name: [(2R,4R,5R,6S)-4-azido-6-methyl-5-phenylmethoxy-oxan-2-yl] N,N-diethylcarbamodithioate Openeye Name: [(2R,4R,5R,6S)-4-azido-5-benzyloxy-6-methyl-tetrahydropyran-2-yl] N,N-diethylcarbamodithioate CAS Name: N,N-diethylcarbamodithioic acid [(2R,4R,5R,6S)-4-azido-6-methyl-5-phenylmethoxy-2-oxanyl] ester IUPAC Name: [(2R,4R,5R,6S)-4-azido-6-methyl-5-phenylmethoxyoxan-2-yl] N,N-diethylcarbamodithioate Traditional Name: N,N-diethylcarbamodithioic acid [(2R,4R,5R,6S)-4-azido-5-benzoxy-6-methyl-tetrahydropyran-2-yl] ester Formula: C18H26N4O2S2 MolecularWeight: 394.55464

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)C(=S)SC1CC(C(C(O1)C)OCC2=CC=CC=C2)N=[N+]=[N-]

Isomeric SMILES

CCN(CC)C(=S)S[C@@H]1C[C@H]([C@H]([C@@H](O1)C)OCC2=CC=CC=C2)N=[N+]=[N-]

InChI

InChI=1S/C18H26N4O2S2/c1-4-22(5-2)18(25)26-16-11-15(20-21-19)17(13(3)24-16)23-12-14-9-7-6-8-10-14/h6-10,13,15-17H,4-5,11-12H2,1-3H3/t13-,15+,16+,17-/m0/s1