(4-sulfanyl-1,3-benzothiazol-2-yl) icosanoate

Systemtic Name: (4-sulfanyl-1,3-benzothiazol-2-yl) icosanoate Openeye Name: (4-sulfanyl-1,3-benzothiazol-2-yl) icosanoate CAS Name: eicosanoic acid (4-mercapto-1,3-benzothiazol-2-yl) ester IUPAC Name: (4-sulfanyl-1,3-benzothiazol-2-yl) icosanoate Traditional Name: arachidic acid (4-mercapto-1,3-benzothiazol-2-yl) ester Formula: C27H43NO2S2 MolecularWeight: 477.76582

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCCCC(=O)OC1=NC2=C(S1)C=CC=C2S

Isomeric SMILES

CCCCCCCCCCCCCCCCCCCC(=O)OC1=NC2=C(S1)C=CC=C2S

InChI

InChI=1S/C27H43NO2S2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-22-25(29)30-27-28-26-23(31)20-19-21-24(26)32-27/h19-21,31H,2-18,22H2,1H3