2-[1H-benzimidazol-2-ylsulfanyl-(4-carboxyphenyl)methyl]butanedioic acid

Systemtic Name: 2-[1H-benzimidazol-2-ylsulfanyl-(4-carboxyphenyl)methyl]butanedioic acid Openeye Name: 2-[1H-benzimidazol-2-ylsulfanyl-(4-carboxyphenyl)methyl]butanedioic acid CAS Name: 2-[(1H-benzimidazol-2-ylthio)-(4-carboxyphenyl)methyl]butanedioic acid IUPAC Name: 2-[1H-benzimidazol-2-ylsulfanyl-(4-carboxyphenyl)methyl]butanedioic acid Traditional Name: 2-[(1H-benzimidazol-2-ylthio)-(4-carboxyphenyl)methyl]succinic acid Formula: C19H16N2O6S MolecularWeight: 400.40514

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)NC(=N2)SC(C3=CC=C(C=C3)C(=O)O)C(CC(=O)O)C(=O)O

Isomeric SMILES

C1=CC=C2C(=C1)NC(=N2)SC(C3=CC=C(C=C3)C(=O)O)C(CC(=O)O)C(=O)O

InChI

InChI=1S/C19H16N2O6S/c22-15(23)9-12(18(26)27)16(10-5-7-11(8-6-10)17(24)25)28-19-20-13-3-1-2-4-14(13)21-19/h1-8,12,16H,9H2,(H,20,21)(H,22,23)(H,24,25)(H,26,27)