(2S,3R)-2-(1,3-benzothiazol-2-ylsulfanyl)hexan-3-ol

Systemtic Name: (2S,3R)-2-(1,3-benzothiazol-2-ylsulfanyl)hexan-3-ol Openeye Name: (2S,3R)-2-(1,3-benzothiazol-2-ylsulfanyl)hexan-3-ol CAS Name: (2S,3R)-2-(1,3-benzothiazol-2-ylthio)-3-hexanol IUPAC Name: (2S,3R)-2-(1,3-benzothiazol-2-ylsulfanyl)hexan-3-ol Traditional Name: (2S,3R)-2-(1,3-benzothiazol-2-ylthio)hexan-3-ol Formula: C13H17NOS2 MolecularWeight: 267.41018

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(C(C)SC1=NC2=CC=CC=C2S1)O

Isomeric SMILES

CCC[C@H]([C@H](C)SC1=NC2=CC=CC=C2S1)O

InChI

InChI=1S/C13H17NOS2/c1-3-6-11(15)9(2)16-13-14-10-7-4-5-8-12(10)17-13/h4-5,7-9,11,15H,3,6H2,1-2H3/t9-,11+/m0/s1