3-ethyl-5-methoxy-2-[(Z)-2-methylsulfanylprop-1-enyl]-1,3-benzothiazol-3-ium

Systemtic Name: 3-ethyl-5-methoxy-2-[(Z)-2-methylsulfanylprop-1-enyl]-1,3-benzothiazol-3-ium Openeye Name: 3-ethyl-5-methoxy-2-[(Z)-2-methylsulfanylprop-1-enyl]-1,3-benzothiazol-3-ium CAS Name: 3-ethyl-5-methoxy-2-[(Z)-2-(methylthio)prop-1-enyl]-1,3-benzothiazol-3-ium IUPAC Name: 3-ethyl-5-methoxy-2-[(Z)-2-methylsulfanylprop-1-enyl]-1,3-benzothiazol-3-ium Traditional Name: 3-ethyl-5-methoxy-2-[(Z)-2-(methylthio)prop-1-enyl]-1,3-benzothiazol-3-ium Formula: C14H18NOS2+ MolecularWeight: 280.42882

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Descriptors Computed from Structure

Canonical SMILES:

CC[N+]1=C(SC2=C1C=C(C=C2)OC)C=C(C)SC

Isomeric SMILES

CC[N+]1=C(SC2=C1C=C(C=C2)OC)/C=C(/C)\SC

InChI

InChI=1S/C14H18NOS2/c1-5-15-12-9-11(16-3)6-7-13(12)18-14(15)8-10(2)17-4/h6-9H,5H2,1-4H3/q+1/b10-8-