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

Systemtic Name: 2-(1H-benzimidazol-2-ylsulfanyl)-3-ethyl-butanedioic acid Openeye Name: 2-(1H-benzimidazol-2-ylsulfanyl)-3-ethyl-butanedioic acid CAS Name: 2-(1H-benzimidazol-2-ylthio)-3-ethylbutanedioic acid IUPAC Name: 2-(1H-benzimidazol-2-ylsulfanyl)-3-ethylbutanedioic acid Traditional Name: 2-(1H-benzimidazol-2-ylthio)-3-ethyl-succinic acid Formula: C13H14N2O4S MolecularWeight: 294.32626

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H14N2O4S/c1-2-7(11(16)17)10(12(18)19)20-13-14-8-5-3-4-6-9(8)15-13/h3-7,10H,2H2,1H3,(H,14,15)(H,16,17)(H,18,19)