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3-(1,3-benzothiazol-2-ylsulfanyloxycarbonyl)pentanoic acid

3-(1,3-benzothiazol-2-ylsulfanyloxycarbonyl)pentanoic acid

Systemtic Name:3-(1,3-benzothiazol-2-ylsulfanyloxycarbonyl)pentanoic acid
Openeye Name:3-(1,3-benzothiazol-2-ylsulfanyloxycarbonyl)pentanoic acid
CAS Name:3-[(1,3-benzothiazol-2-ylthio)oxy-oxomethyl]pentanoic acid
IUPAC Name:3-(1,3-benzothiazol-2-ylsulfanyloxycarbonyl)pentanoic acid
Traditional Name:3-(1,3-benzothiazol-2-ylthio)oxycarbonylvaleric acid
Formula: C13H13NO4S2
MolecularWeight: 311.37662
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Descriptors Computed from Structure

Canonical SMILES:

CCC(CC(=O)O)C(=O)OSC1=NC2=CC=CC=C2S1


Isomeric SMILES

CCC(CC(=O)O)C(=O)OSC1=NC2=CC=CC=C2S1


InChI

InChI=1S/C13H13NO4S2/c1-2-8(7-11(15)16)12(17)18-20-13-14-9-5-3-4-6-10(9)19-13/h3-6,8H,2,7H2,1H3,(H,15,16)


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