3-ethyl-2-[(E)-2-methoxybut-1-enyl]-5-methyl-2H-1,3-benzothiazole; methyl sulfate

Systemtic Name: 3-ethyl-2-[(E)-2-methoxybut-1-enyl]-5-methyl-2H-1,3-benzothiazole; methyl sulfate Openeye Name: 3-ethyl-2-[(E)-2-methoxybut-1-enyl]-5-methyl-2H-1,3-benzothiazole; methyl sulfate CAS Name: 3-ethyl-2-[(E)-2-methoxybut-1-enyl]-5-methyl-2H-1,3-benzothiazole; methyl sulfate IUPAC Name: 3-ethyl-2-[(E)-2-methoxybut-1-enyl]-5-methyl-2H-1,3-benzothiazole; methyl sulfate Traditional Name: 3-ethyl-2-[(E)-2-methoxybut-1-enyl]-5-methyl-2H-1,3-benzothiazole; methyl sulfate Formula: C16H24NO5S2- MolecularWeight: 374.49546

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Descriptors Computed from Structure

Canonical SMILES:

CCC(=CC1N(C2=C(S1)C=CC(=C2)C)CC)OC.COS(=O)(=O)[O-]

Isomeric SMILES

CC/C(=C\C1N(C2=C(S1)C=CC(=C2)C)CC)/OC.COS(=O)(=O)[O-]

InChI

InChI=1S/C15H21NOS.CH4O4S/c1-5-12(17-4)10-15-16(6-2)13-9-11(3)7-8-14(13)18-15;1-5-6(2,3)4/h7-10,15H,5-6H2,1-4H3;1H3,(H,2,3,4)/p-1/b12-10+;