2-[2-(1H-benzimidazol-2-ylsulfanyl)ethyl]butanedioic acid

Systemtic Name: 2-[2-(1H-benzimidazol-2-ylsulfanyl)ethyl]butanedioic acid Openeye Name: 2-[2-(1H-benzimidazol-2-ylsulfanyl)ethyl]butanedioic acid CAS Name: 2-[2-(1H-benzimidazol-2-ylthio)ethyl]butanedioic acid IUPAC Name: 2-[2-(1H-benzimidazol-2-ylsulfanyl)ethyl]butanedioic acid Traditional Name: 2-[2-(1H-benzimidazol-2-ylthio)ethyl]succinic acid Formula: C13H14N2O4S MolecularWeight: 294.32626

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)NC(=N2)SCCC(CC(=O)O)C(=O)O

Isomeric SMILES

C1=CC=C2C(=C1)NC(=N2)SCCC(CC(=O)O)C(=O)O

InChI

InChI=1S/C13H14N2O4S/c16-11(17)7-8(12(18)19)5-6-20-13-14-9-3-1-2-4-10(9)15-13/h1-4,8H,5-7H2,(H,14,15)(H,16,17)(H,18,19)