6-(3-oxidanylidene-1,2-benzothiazol-2-yl)hexanoate

Systemtic Name: 6-(3-oxidanylidene-1,2-benzothiazol-2-yl)hexanoate Openeye Name: 6-(3-oxo-1,2-benzothiazol-2-yl)hexanoate CAS Name: 6-(3-oxo-1,2-benzothiazol-2-yl)hexanoate IUPAC Name: 6-(3-oxo-1,2-benzothiazol-2-yl)hexanoate Traditional Name: 6-(3-keto-1,2-benzothiazol-2-yl)hexanoate Formula: C13H14NO3S- MolecularWeight: 264.32016

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=O)N(S2)CCCCCC(=O)[O-]

Isomeric SMILES

C1=CC=C2C(=C1)C(=O)N(S2)CCCCCC(=O)[O-]

InChI

InChI=1S/C13H15NO3S/c15-12(16)8-2-1-5-9-14-13(17)10-6-3-4-7-11(10)18-14/h3-4,6-7H,1-2,5,8-9H2,(H,15,16)/p-1