1,3-benzothiazole; 6-[(6-oxidanyl-1,3-benzothiazol-2-yl)amino]hexanoic acid

Systemtic Name: 1,3-benzothiazole; 6-[(6-oxidanyl-1,3-benzothiazol-2-yl)amino]hexanoic acid Openeye Name: 1,3-benzothiazole; 6-[(6-hydroxy-1,3-benzothiazol-2-yl)amino]hexanoic acid CAS Name: 1,3-benzothiazole; 6-[(6-hydroxy-1,3-benzothiazol-2-yl)amino]hexanoic acid IUPAC Name: 1,3-benzothiazole; 6-[(6-hydroxy-1,3-benzothiazol-2-yl)amino]hexanoic acid Traditional Name: 1,3-benzothiazole; 6-[(6-hydroxy-1,3-benzothiazol-2-yl)amino]hexanoic acid Formula: C20H21N3O3S2 MolecularWeight: 415.52904

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)N=CS2.C1=CC2=C(C=C1O)SC(=N2)NCCCCCC(=O)O

Isomeric SMILES

C1=CC=C2C(=C1)N=CS2.C1=CC2=C(C=C1O)SC(=N2)NCCCCCC(=O)O

InChI

InChI=1S/C13H16N2O3S.C7H5NS/c16-9-5-6-10-11(8-9)19-13(15-10)14-7-3-1-2-4-12(17)18;1-2-4-7-6(3-1)8-5-9-7/h5-6,8,16H,1-4,7H2,(H,14,15)(H,17,18);1-5H