3-[3-[(4-methyl-1-benzothiophen-3-yl)methyl]-2-oxidanylidene-benzimidazol-1-yl]pentanedioic acid

Systemtic Name: 3-[3-[(4-methyl-1-benzothiophen-3-yl)methyl]-2-oxidanylidene-benzimidazol-1-yl]pentanedioic acid Openeye Name: 3-[3-[(4-methylbenzothiophen-3-yl)methyl]-2-oxo-benzimidazol-1-yl]pentanedioic acid CAS Name: 3-[3-[(4-methyl-1-benzothiophen-3-yl)methyl]-2-oxo-1-benzimidazolyl]pentanedioic acid IUPAC Name: 3-[3-[(4-methyl-1-benzothiophen-3-yl)methyl]-2-oxobenzimidazol-1-yl]pentanedioic acid Traditional Name: 3-[2-keto-3-[(4-methylbenzothiophen-3-yl)methyl]benzimidazol-1-yl]glutaric acid Formula: C22H20N2O5S MolecularWeight: 424.4696

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C2C(=CC=C1)SC=C2CN3C4=CC=CC=C4N(C3=O)C(CC(=O)O)CC(=O)O

Isomeric SMILES

CC1=C2C(=CC=C1)SC=C2CN3C4=CC=CC=C4N(C3=O)C(CC(=O)O)CC(=O)O

InChI

InChI=1S/C22H20N2O5S/c1-13-5-4-8-18-21(13)14(12-30-18)11-23-16-6-2-3-7-17(16)24(22(23)29)15(9-19(25)26)10-20(27)28/h2-8,12,15H,9-11H2,1H3,(H,25,26)(H,27,28)