[(E)-8-(1,3-benzothiazol-2-ylsulfanyl)-3,7-dimethyl-oct-6-enyl] benzoate

Systemtic Name: [(E)-8-(1,3-benzothiazol-2-ylsulfanyl)-3,7-dimethyl-oct-6-enyl] benzoate Openeye Name: [(E)-8-(1,3-benzothiazol-2-ylsulfanyl)-3,7-dimethyl-oct-6-enyl] benzoate CAS Name: benzoic acid [(E)-8-(1,3-benzothiazol-2-ylthio)-3,7-dimethyloct-6-enyl] ester IUPAC Name: [(E)-8-(1,3-benzothiazol-2-ylsulfanyl)-3,7-dimethyloct-6-enyl] benzoate Traditional Name: benzoic acid [(E)-8-(1,3-benzothiazol-2-ylthio)-3,7-dimethyl-oct-6-enyl] ester Formula: C24H27NO2S2 MolecularWeight: 425.60668

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Descriptors Computed from Structure

Canonical SMILES:

CC(CCC=C(C)CSC1=NC2=CC=CC=C2S1)CCOC(=O)C3=CC=CC=C3

Isomeric SMILES

CC(CC/C=C(\C)/CSC1=NC2=CC=CC=C2S1)CCOC(=O)C3=CC=CC=C3

InChI

InChI=1S/C24H27NO2S2/c1-18(15-16-27-23(26)20-11-4-3-5-12-20)9-8-10-19(2)17-28-24-25-21-13-6-7-14-22(21)29-24/h3-7,10-14,18H,8-9,15-17H2,1-2H3/b19-10+