1-[3-[(6-ethoxy-1,3-benzothiazol-2-yl)sulfanylmethyl]-2,4,6-trimethyl-phenyl]ethanone

Systemtic Name: 1-[3-[(6-ethoxy-1,3-benzothiazol-2-yl)sulfanylmethyl]-2,4,6-trimethyl-phenyl]ethanone Openeye Name: 1-[3-[(6-ethoxy-1,3-benzothiazol-2-yl)sulfanylmethyl]-2,4,6-trimethyl-phenyl]ethanone CAS Name: 1-[3-[[(6-ethoxy-1,3-benzothiazol-2-yl)thio]methyl]-2,4,6-trimethylphenyl]ethanone IUPAC Name: 1-[3-[(6-ethoxy-1,3-benzothiazol-2-yl)sulfanylmethyl]-2,4,6-trimethylphenyl]ethanone Traditional Name: 1-[3-[[(6-ethoxy-1,3-benzothiazol-2-yl)thio]methyl]-2,4,6-trimethyl-phenyl]ethanone Formula: C21H23NO2S2 MolecularWeight: 385.54282

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC2=C(C=C1)N=C(S2)SCC3=C(C=C(C(=C3C)C(=O)C)C)C

Isomeric SMILES

CCOC1=CC2=C(C=C1)N=C(S2)SCC3=C(C=C(C(=C3C)C(=O)C)C)C

InChI

InChI=1S/C21H23NO2S2/c1-6-24-16-7-8-18-19(10-16)26-21(22-18)25-11-17-12(2)9-13(3)20(14(17)4)15(5)23/h7-10H,6,11H2,1-5H3