3-ethyl-2-[(E)-2-methylsulfanylprop-1-enyl]-2H-1,3-benzothiazole; methyl sulfate

Systemtic Name: 3-ethyl-2-[(E)-2-methylsulfanylprop-1-enyl]-2H-1,3-benzothiazole; methyl sulfate Openeye Name: 3-ethyl-2-[(E)-2-methylsulfanylprop-1-enyl]-2H-1,3-benzothiazole; methyl sulfate CAS Name: 3-ethyl-2-[(E)-2-(methylthio)prop-1-enyl]-2H-1,3-benzothiazole; methyl sulfate IUPAC Name: 3-ethyl-2-[(E)-2-methylsulfanylprop-1-enyl]-2H-1,3-benzothiazole; methyl sulfate Traditional Name: 3-ethyl-2-[(E)-2-(methylthio)prop-1-enyl]-2H-1,3-benzothiazole; methyl sulfate Formula: C14H20NO4S3- MolecularWeight: 362.5079

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C(SC2=CC=CC=C21)C=C(C)SC.COS(=O)(=O)[O-]

Isomeric SMILES

CCN1C(SC2=CC=CC=C21)/C=C(\C)/SC.COS(=O)(=O)[O-]

InChI

InChI=1S/C13H17NS2.CH4O4S/c1-4-14-11-7-5-6-8-12(11)16-13(14)9-10(2)15-3;1-5-6(2,3)4/h5-9,13H,4H2,1-3H3;1H3,(H,2,3,4)/p-1/b10-9+;