6-(1,3-benzothiazol-2-ylamino)-6-oxidanylidene-hexanoic acid

Systemtic Name: 6-(1,3-benzothiazol-2-ylamino)-6-oxidanylidene-hexanoic acid Openeye Name: 6-(1,3-benzothiazol-2-ylamino)-6-oxo-hexanoic acid CAS Name: 6-(1,3-benzothiazol-2-ylamino)-6-oxohexanoic acid IUPAC Name: 6-(1,3-benzothiazol-2-ylamino)-6-oxohexanoic acid Traditional Name: 6-(1,3-benzothiazol-2-ylamino)-6-keto-hexanoic acid Formula: C13H14N2O3S MolecularWeight: 278.32686

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)N=C(S2)NC(=O)CCCCC(=O)O

Isomeric SMILES

C1=CC=C2C(=C1)N=C(S2)NC(=O)CCCCC(=O)O

InChI

InChI=1S/C13H14N2O3S/c16-11(7-3-4-8-12(17)18)15-13-14-9-5-1-2-6-10(9)19-13/h1-2,5-6H,3-4,7-8H2,(H,17,18)(H,14,15,16)