2-[(6-methylsulfonyl-1,3-benzothiazol-2-yl)sulfanyl]tetradecanoic acid

Systemtic Name: 2-[(6-methylsulfonyl-1,3-benzothiazol-2-yl)sulfanyl]tetradecanoic acid Openeye Name: 2-[(6-methylsulfonyl-1,3-benzothiazol-2-yl)sulfanyl]tetradecanoic acid CAS Name: 2-[(6-methylsulfonyl-1,3-benzothiazol-2-yl)thio]tetradecanoic acid IUPAC Name: 2-[(6-methylsulfonyl-1,3-benzothiazol-2-yl)sulfanyl]tetradecanoic acid Traditional Name: 2-[(6-mesyl-1,3-benzothiazol-2-yl)thio]myristic acid Formula: C22H33NO4S3 MolecularWeight: 471.69672

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCC(C(=O)O)SC1=NC2=C(S1)C=C(C=C2)S(=O)(=O)C

Isomeric SMILES

CCCCCCCCCCCCC(C(=O)O)SC1=NC2=C(S1)C=C(C=C2)S(=O)(=O)C

InChI

InChI=1S/C22H33NO4S3/c1-3-4-5-6-7-8-9-10-11-12-13-19(21(24)25)28-22-23-18-15-14-17(30(2,26)27)16-20(18)29-22/h14-16,19H,3-13H2,1-2H3,(H,24,25)