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2-[1-(1H-benzimidazol-2-ylsulfanyl)butyl]butanedioic acid

2-[1-(1H-benzimidazol-2-ylsulfanyl)butyl]butanedioic acid

Systemtic Name:2-[1-(1H-benzimidazol-2-ylsulfanyl)butyl]butanedioic acid
Openeye Name:2-[1-(1H-benzimidazol-2-ylsulfanyl)butyl]butanedioic acid
CAS Name:2-[1-(1H-benzimidazol-2-ylthio)butyl]butanedioic acid
IUPAC Name:2-[1-(1H-benzimidazol-2-ylsulfanyl)butyl]butanedioic acid
Traditional Name:2-[1-(1H-benzimidazol-2-ylthio)butyl]succinic acid
Formula: C15H18N2O4S
MolecularWeight: 322.37942
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Descriptors Computed from Structure

Canonical SMILES:

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


Isomeric SMILES

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


InChI

InChI=1S/C15H18N2O4S/c1-2-5-12(9(14(20)21)8-13(18)19)22-15-16-10-6-3-4-7-11(10)17-15/h3-4,6-7,9,12H,2,5,8H2,1H3,(H,16,17)(H,18,19)(H,20,21)


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