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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(CN1C2=CC=CC=C2N(C1=O)CC3=NSC4=CC(=CC(=C43)C)C)C(=O)O

Isomeric SMILES

CCCC(CN1C2=CC=CC=C2N(C1=O)CC3=NSC4=CC(=CC(=C43)C)C)C(=O)O

InChI

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