3-(1,3-benzothiazol-2-ylsulfanyloxycarbonyl)-5-ethyl-nonanoic acid

Systemtic Name: 3-(1,3-benzothiazol-2-ylsulfanyloxycarbonyl)-5-ethyl-nonanoic acid Openeye Name: 3-(1,3-benzothiazol-2-ylsulfanyloxycarbonyl)-5-ethyl-nonanoic acid CAS Name: 3-[(1,3-benzothiazol-2-ylthio)oxy-oxomethyl]-5-ethylnonanoic acid IUPAC Name: 3-(1,3-benzothiazol-2-ylsulfanyloxycarbonyl)-5-ethylnonanoic acid Traditional Name: 3-(1,3-benzothiazol-2-ylthio)oxycarbonyl-5-ethyl-pelargonic acid Formula: C19H25NO4S2 MolecularWeight: 395.5361

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H25NO4S2/c1-3-5-8-13(4-2)11-14(12-17(21)22)18(23)24-26-19-20-15-9-6-7-10-16(15)25-19/h6-7,9-10,13-14H,3-5,8,11-12H2,1-2H3,(H,21,22)