2-[2-(1-phenylazanylethenyl)-2H-1,3-benzothiazol-3-yl]hexanoic acid

Systemtic Name: 2-[2-(1-phenylazanylethenyl)-2H-1,3-benzothiazol-3-yl]hexanoic acid Openeye Name: 2-[2-(1-anilinovinyl)-2H-1,3-benzothiazol-3-yl]hexanoic acid CAS Name: 2-[2-(1-anilinoethenyl)-2H-1,3-benzothiazol-3-yl]hexanoic acid IUPAC Name: 2-[2-(1-anilinoethenyl)-2H-1,3-benzothiazol-3-yl]hexanoic acid Traditional Name: 2-[2-(1-anilinovinyl)-2H-1,3-benzothiazol-3-yl]hexanoic acid Formula: C21H24N2O2S MolecularWeight: 368.49246

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC(C(=O)O)N1C(SC2=CC=CC=C21)C(=C)NC3=CC=CC=C3

Isomeric SMILES

CCCCC(C(=O)O)N1C(SC2=CC=CC=C21)C(=C)NC3=CC=CC=C3

InChI

InChI=1S/C21H24N2O2S/c1-3-4-12-18(21(24)25)23-17-13-8-9-14-19(17)26-20(23)15(2)22-16-10-6-5-7-11-16/h5-11,13-14,18,20,22H,2-4,12H2,1H3,(H,24,25)