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2-[1-(1,3-benzoxazol-2-ylsulfanyl)butyl]butanedioic acid

2-[1-(1,3-benzoxazol-2-ylsulfanyl)butyl]butanedioic acid

Systemtic Name:2-[1-(1,3-benzoxazol-2-ylsulfanyl)butyl]butanedioic acid
Openeye Name:2-[1-(1,3-benzoxazol-2-ylsulfanyl)butyl]butanedioic acid
CAS Name:2-[1-(1,3-benzoxazol-2-ylthio)butyl]butanedioic acid
IUPAC Name:2-[1-(1,3-benzoxazol-2-ylsulfanyl)butyl]butanedioic acid
Traditional Name:2-[1-(1,3-benzoxazol-2-ylthio)butyl]succinic acid
Formula: C15H17NO5S
MolecularWeight: 323.36418
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Descriptors Computed from Structure

Canonical SMILES:

CCCC(C(CC(=O)O)C(=O)O)SC1=NC2=CC=CC=C2O1


Isomeric SMILES

CCCC(C(CC(=O)O)C(=O)O)SC1=NC2=CC=CC=C2O1


InChI

InChI=1S/C15H17NO5S/c1-2-5-12(9(14(19)20)8-13(17)18)22-15-16-10-6-3-4-7-11(10)21-15/h3-4,6-7,9,12H,2,5,8H2,1H3,(H,17,18)(H,19,20)


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