3-(1,3-benzothiazol-2-ylsulfanyloxycarbonyl)-3-butyl-heptanoic acid

Systemtic Name: 3-(1,3-benzothiazol-2-ylsulfanyloxycarbonyl)-3-butyl-heptanoic acid Openeye Name: 3-(1,3-benzothiazol-2-ylsulfanyloxycarbonyl)-3-butyl-heptanoic acid CAS Name: 3-[(1,3-benzothiazol-2-ylthio)oxy-oxomethyl]-3-butylheptanoic acid IUPAC Name: 3-(1,3-benzothiazol-2-ylsulfanyloxycarbonyl)-3-butylheptanoic acid Traditional Name: 3-(1,3-benzothiazol-2-ylthio)oxycarbonyl-3-butyl-enanthic acid Formula: C19H25NO4S2 MolecularWeight: 395.5361

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H25NO4S2/c1-3-5-11-19(12-6-4-2,13-16(21)22)17(23)24-26-18-20-14-9-7-8-10-15(14)25-18/h7-10H,3-6,11-13H2,1-2H3,(H,21,22)