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2-[(6-ethyl-1,3-benzoxazol-2-yl)sulfanyl]pentanedioic acid

2-[(6-ethyl-1,3-benzoxazol-2-yl)sulfanyl]pentanedioic acid

Systemtic Name:2-[(6-ethyl-1,3-benzoxazol-2-yl)sulfanyl]pentanedioic acid
Openeye Name:2-[(6-ethyl-1,3-benzoxazol-2-yl)sulfanyl]pentanedioic acid
CAS Name:2-[(6-ethyl-1,3-benzoxazol-2-yl)thio]pentanedioic acid
IUPAC Name:2-[(6-ethyl-1,3-benzoxazol-2-yl)sulfanyl]pentanedioic acid
Traditional Name:2-[(6-ethyl-1,3-benzoxazol-2-yl)thio]glutaric acid
Formula: C14H15NO5S
MolecularWeight: 309.3376
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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC2=C(C=C1)N=C(O2)SC(CCC(=O)O)C(=O)O


Isomeric SMILES

CCC1=CC2=C(C=C1)N=C(O2)SC(CCC(=O)O)C(=O)O


InChI

InChI=1S/C14H15NO5S/c1-2-8-3-4-9-10(7-8)20-14(15-9)21-11(13(18)19)5-6-12(16)17/h3-4,7,11H,2,5-6H2,1H3,(H,16,17)(H,18,19)


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