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

Systemtic Name: 2-(1H-benzimidazol-2-ylsulfanyl)-3-(methoxymethyl)butanedioic acid Openeye Name: 2-(1H-benzimidazol-2-ylsulfanyl)-3-(methoxymethyl)butanedioic acid CAS Name: 2-(1H-benzimidazol-2-ylthio)-3-(methoxymethyl)butanedioic acid IUPAC Name: 2-(1H-benzimidazol-2-ylsulfanyl)-3-(methoxymethyl)butanedioic acid Traditional Name: 2-(1H-benzimidazol-2-ylthio)-3-(methoxymethyl)succinic acid Formula: C13H14N2O5S MolecularWeight: 310.32566

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Descriptors Computed from Structure

Canonical SMILES:

COCC(C(C(=O)O)SC1=NC2=CC=CC=C2N1)C(=O)O

Isomeric SMILES

COCC(C(C(=O)O)SC1=NC2=CC=CC=C2N1)C(=O)O

InChI

InChI=1S/C13H14N2O5S/c1-20-6-7(11(16)17)10(12(18)19)21-13-14-8-4-2-3-5-9(8)15-13/h2-5,7,10H,6H2,1H3,(H,14,15)(H,16,17)(H,18,19)