3-ethyl-6-methoxy-5-methyl-2-[(E)-2-methylsulfanylbut-1-enyl]-1,3-benzothiazol-3-ium

Systemtic Name: 3-ethyl-6-methoxy-5-methyl-2-[(E)-2-methylsulfanylbut-1-enyl]-1,3-benzothiazol-3-ium Openeye Name: 3-ethyl-6-methoxy-5-methyl-2-[(E)-2-methylsulfanylbut-1-enyl]-1,3-benzothiazol-3-ium CAS Name: 3-ethyl-6-methoxy-5-methyl-2-[(E)-2-(methylthio)but-1-enyl]-1,3-benzothiazol-3-ium IUPAC Name: 3-ethyl-6-methoxy-5-methyl-2-[(E)-2-methylsulfanylbut-1-enyl]-1,3-benzothiazol-3-ium Traditional Name: 3-ethyl-6-methoxy-5-methyl-2-[(E)-2-(methylthio)but-1-enyl]-1,3-benzothiazol-3-ium Formula: C16H22NOS2+ MolecularWeight: 308.48198

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Descriptors Computed from Structure

Canonical SMILES:

CCC(=CC1=[N+](C2=C(S1)C=C(C(=C2)C)OC)CC)SC

Isomeric SMILES

CC/C(=C\C1=[N+](C2=C(S1)C=C(C(=C2)C)OC)CC)/SC

InChI

InChI=1S/C16H22NOS2/c1-6-12(19-5)9-16-17(7-2)13-8-11(3)14(18-4)10-15(13)20-16/h8-10H,6-7H2,1-5H3/q+1/b12-9+