2-(1H-benzimidazol-2-ylmethylsulfanyl)butanedioic acid

Systemtic Name: 2-(1H-benzimidazol-2-ylmethylsulfanyl)butanedioic acid Openeye Name: 2-(1H-benzimidazol-2-ylmethylsulfanyl)butanedioic acid CAS Name: 2-(1H-benzimidazol-2-ylmethylthio)butanedioic acid IUPAC Name: 2-(1H-benzimidazol-2-ylmethylsulfanyl)butanedioic acid Traditional Name: 2-(1H-benzimidazol-2-ylmethylthio)succinic acid Formula: C12H12N2O4S MolecularWeight: 280.29968

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H12N2O4S/c15-11(16)5-9(12(17)18)19-6-10-13-7-3-1-2-4-8(7)14-10/h1-4,9H,5-6H2,(H,13,14)(H,15,16)(H,17,18)