3-[3-[(4,6-dimethyl-1,2-benzothiazol-3-yl)methyl]-2-oxidanylidene-benzimidazol-1-yl]hexanoic acid

Systemtic Name: 3-[3-[(4,6-dimethyl-1,2-benzothiazol-3-yl)methyl]-2-oxidanylidene-benzimidazol-1-yl]hexanoic acid Openeye Name: 3-[3-[(4,6-dimethyl-1,2-benzothiazol-3-yl)methyl]-2-oxo-benzimidazol-1-yl]hexanoic acid CAS Name: 3-[3-[(4,6-dimethyl-1,2-benzothiazol-3-yl)methyl]-2-oxo-1-benzimidazolyl]hexanoic acid IUPAC Name: 3-[3-[(4,6-dimethyl-1,2-benzothiazol-3-yl)methyl]-2-oxobenzimidazol-1-yl]hexanoic acid Traditional Name: 3-[3-[(4,6-dimethyl-1,2-benzothiazol-3-yl)methyl]-2-keto-benzimidazol-1-yl]hexanoic acid Formula: C23H25N3O3S MolecularWeight: 423.5279

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(CC(=O)O)N1C2=CC=CC=C2N(C1=O)CC3=NSC4=CC(=CC(=C43)C)C

Isomeric SMILES

CCCC(CC(=O)O)N1C2=CC=CC=C2N(C1=O)CC3=NSC4=CC(=CC(=C43)C)C

InChI

InChI=1S/C23H25N3O3S/c1-4-7-16(12-21(27)28)26-19-9-6-5-8-18(19)25(23(26)29)13-17-22-15(3)10-14(2)11-20(22)30-24-17/h5-6,8-11,16H,4,7,12-13H2,1-3H3,(H,27,28)