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

Systemtic Name: 3-ethyl-5-methoxy-2-[(Z)-2-methylsulfanylbut-1-enyl]-1,3-benzothiazol-3-ium Openeye Name: 3-ethyl-5-methoxy-2-[(Z)-2-methylsulfanylbut-1-enyl]-1,3-benzothiazol-3-ium CAS Name: 3-ethyl-5-methoxy-2-[(Z)-2-(methylthio)but-1-enyl]-1,3-benzothiazol-3-ium IUPAC Name: 3-ethyl-5-methoxy-2-[(Z)-2-methylsulfanylbut-1-enyl]-1,3-benzothiazol-3-ium Traditional Name: 3-ethyl-5-methoxy-2-[(Z)-2-(methylthio)but-1-enyl]-1,3-benzothiazol-3-ium Formula: C15H20NOS2+ MolecularWeight: 294.4554

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H20NOS2/c1-5-12(18-4)10-15-16(6-2)13-9-11(17-3)7-8-14(13)19-15/h7-10H,5-6H2,1-4H3/q+1/b12-10-