[(2S,3R,4R,5S,6S)-3-chloranyl-2-ethylsulfanyl-6-methyl-5-phenylmethoxy-oxan-4-yl] benzoate

Systemtic Name: [(2S,3R,4R,5S,6S)-3-chloranyl-2-ethylsulfanyl-6-methyl-5-phenylmethoxy-oxan-4-yl] benzoate Openeye Name: [(2S,3R,4R,5S,6S)-5-benzyloxy-3-chloro-2-ethylsulfanyl-6-methyl-tetrahydropyran-4-yl] benzoate CAS Name: benzoic acid [(2S,3R,4R,5S,6S)-3-chloro-2-(ethylthio)-6-methyl-5-phenylmethoxy-4-oxanyl] ester IUPAC Name: [(2S,3R,4R,5S,6S)-3-chloro-2-ethylsulfanyl-6-methyl-5-phenylmethoxyoxan-4-yl] benzoate Traditional Name: benzoic acid [(2S,3R,4R,5S,6S)-5-benzoxy-3-chloro-2-(ethylthio)-6-methyl-tetrahydropyran-4-yl] ester Formula: C22H25ClO4S MolecularWeight: 420.9495

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Descriptors Computed from Structure

Canonical SMILES:

CCSC1C(C(C(C(O1)C)OCC2=CC=CC=C2)OC(=O)C3=CC=CC=C3)Cl

Isomeric SMILES

CCS[C@H]1[C@@H]([C@@H]([C@H]([C@@H](O1)C)OCC2=CC=CC=C2)OC(=O)C3=CC=CC=C3)Cl

InChI

InChI=1S/C22H25ClO4S/c1-3-28-22-18(23)20(27-21(24)17-12-8-5-9-13-17)19(15(2)26-22)25-14-16-10-6-4-7-11-16/h4-13,15,18-20,22H,3,14H2,1-2H3/t15-,18+,19-,20-,22-/m0/s1