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

Systemtic Name: 2-(1H-benzimidazol-2-ylsulfanylmethyl)butanedioic acid Openeye Name: 2-(1H-benzimidazol-2-ylsulfanylmethyl)butanedioic acid CAS Name: 2-[(1H-benzimidazol-2-ylthio)methyl]butanedioic acid IUPAC Name: 2-(1H-benzimidazol-2-ylsulfanylmethyl)butanedioic acid Traditional Name: 2-[(1H-benzimidazol-2-ylthio)methyl]succinic acid Formula: C12H12N2O4S MolecularWeight: 280.29968

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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