2-[1-(1,3-benzothiazol-2-yl)-2-oxidanidyl-2-sulfanylidene-ethyl]-2-decyl-dodecanoate

Systemtic Name: 2-[1-(1,3-benzothiazol-2-yl)-2-oxidanidyl-2-sulfanylidene-ethyl]-2-decyl-dodecanoate Openeye Name: 2-[1-(1,3-benzothiazol-2-yl)-2-oxido-2-thioxo-ethyl]-2-decyl-dodecanoate CAS Name: 2-[1-(1,3-benzothiazol-2-yl)-2-oxido-2-sulfanylideneethyl]-2-decyldodecanoate IUPAC Name: 2-[1-(1,3-benzothiazol-2-yl)-2-oxido-2-sulfanylideneethyl]-2-decyldodecanoate Traditional Name: 2-[1-(1,3-benzothiazol-2-yl)-2-oxido-2-thioxo-ethyl]-2-decyl-laurate Formula: C31H47NO3S2-2 MolecularWeight: 545.83978

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCC(CCCCCCCCCC)(C(C1=NC2=CC=CC=C2S1)C(=S)[O-])C(=O)[O-]

Isomeric SMILES

CCCCCCCCCCC(CCCCCCCCCC)(C(C1=NC2=CC=CC=C2S1)C(=S)[O-])C(=O)[O-]

InChI

InChI=1S/C31H49NO3S2/c1-3-5-7-9-11-13-15-19-23-31(30(34)35,24-20-16-14-12-10-8-6-4-2)27(29(33)36)28-32-25-21-17-18-22-26(25)37-28/h17-18,21-22,27H,3-16,19-20,23-24H2,1-2H3,(H,33,36)(H,34,35)/p-2