8-(1,3-benzothiazol-2-yl)octanethioic S-acid

Systemtic Name: 8-(1,3-benzothiazol-2-yl)octanethioic S-acid Openeye Name: 8-(1,3-benzothiazol-2-yl)octanethioic S-acid CAS Name: 8-(1,3-benzothiazol-2-yl)octanethioic S-acid IUPAC Name: 8-(1,3-benzothiazol-2-yl)octanethioic S-acid Traditional Name: 8-(1,3-benzothiazol-2-yl)thiocaprylic acid Formula: C15H19NOS2 MolecularWeight: 293.44746

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)N=C(S2)CCCCCCCC(=O)S

Isomeric SMILES

C1=CC=C2C(=C1)N=C(S2)CCCCCCCC(=O)S

InChI

InChI=1S/C15H19NOS2/c17-15(18)11-5-3-1-2-4-10-14-16-12-8-6-7-9-13(12)19-14/h6-9H,1-5,10-11H2,(H,17,18)