2-(1H-benzimidazol-2-ylsulfanyl)-3-(hydroxymethyl)butanedioic acid

Systemtic Name: 2-(1H-benzimidazol-2-ylsulfanyl)-3-(hydroxymethyl)butanedioic acid Openeye Name: 2-(1H-benzimidazol-2-ylsulfanyl)-3-(hydroxymethyl)butanedioic acid CAS Name: 2-(1H-benzimidazol-2-ylthio)-3-(hydroxymethyl)butanedioic acid IUPAC Name: 2-(1H-benzimidazol-2-ylsulfanyl)-3-(hydroxymethyl)butanedioic acid Traditional Name: 2-(1H-benzimidazol-2-ylthio)-3-methylol-succinic acid Formula: C12H12N2O5S MolecularWeight: 296.29908

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H12N2O5S/c15-5-6(10(16)17)9(11(18)19)20-12-13-7-3-1-2-4-8(7)14-12/h1-4,6,9,15H,5H2,(H,13,14)(H,16,17)(H,18,19)