5-[[(E)-(3-ethyl-1,3-benzothiazol-2-ylidene)amino]sulfamoyl]-2-octadecoxy-benzoic acid

Systemtic Name: 5-[[(E)-(3-ethyl-1,3-benzothiazol-2-ylidene)amino]sulfamoyl]-2-octadecoxy-benzoic acid Openeye Name: 5-[[(E)-(3-ethyl-1,3-benzothiazol-2-ylidene)amino]sulfamoyl]-2-octadecoxy-benzoic acid CAS Name: 5-[[(E)-(3-ethyl-1,3-benzothiazol-2-ylidene)amino]sulfamoyl]-2-octadecoxybenzoic acid IUPAC Name: 5-[[(E)-(3-ethyl-1,3-benzothiazol-2-ylidene)amino]sulfamoyl]-2-octadecoxybenzoic acid Traditional Name: 5-[[(E)-(3-ethyl-1,3-benzothiazol-2-ylidene)amino]sulfamoyl]-2-stearyloxy-benzoic acid Formula: C34H51N3O5S2 MolecularWeight: 645.91584

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCCOC1=C(C=C(C=C1)S(=O)(=O)NN=C2N(C3=CC=CC=C3S2)CC)C(=O)O

Isomeric SMILES

CCCCCCCCCCCCCCCCCCOC1=C(C=C(C=C1)S(=O)(=O)N/N=C/2\N(C3=CC=CC=C3S2)CC)C(=O)O

InChI

InChI=1S/C34H51N3O5S2/c1-3-5-6-7-8-9-10-11-12-13-14-15-16-17-18-21-26-42-31-25-24-28(27-29(31)33(38)39)44(40,41)36-35-34-37(4-2)30-22-19-20-23-32(30)43-34/h19-20,22-25,27,36H,3-18,21,26H2,1-2H3,(H,38,39)/b35-34+