2-[1-(1,3-benzothiazol-2-yl)-2-oxidanidyl-2-sulfanylidene-ethyl]-2-butyl-hexanoate

Systemtic Name: 2-[1-(1,3-benzothiazol-2-yl)-2-oxidanidyl-2-sulfanylidene-ethyl]-2-butyl-hexanoate Openeye Name: 2-[1-(1,3-benzothiazol-2-yl)-2-oxido-2-thioxo-ethyl]-2-butyl-hexanoate CAS Name: 2-[1-(1,3-benzothiazol-2-yl)-2-oxido-2-sulfanylideneethyl]-2-butylhexanoate IUPAC Name: 2-[1-(1,3-benzothiazol-2-yl)-2-oxido-2-sulfanylideneethyl]-2-butylhexanoate Traditional Name: 2-[1-(1,3-benzothiazol-2-yl)-2-oxido-2-thioxo-ethyl]-2-butyl-hexanoate Formula: C19H23NO3S2-2 MolecularWeight: 377.52082

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC(CCCC)(C(C1=NC2=CC=CC=C2S1)C(=S)[O-])C(=O)[O-]

Isomeric SMILES

CCCCC(CCCC)(C(C1=NC2=CC=CC=C2S1)C(=S)[O-])C(=O)[O-]

InChI

InChI=1S/C19H25NO3S2/c1-3-5-11-19(18(22)23,12-6-4-2)15(17(21)24)16-20-13-9-7-8-10-14(13)25-16/h7-10,15H,3-6,11-12H2,1-2H3,(H,21,24)(H,22,23)/p-2