(2-{2-[(3-Ethyl-5-Methyl-1,3-Benzothiazol-2(3H)-Ylidene)Methyl]-1-Buten-1-Yl}-5-Methyl-1,3-Benzothiazol-3-Ium-3-Yl)Acetate
[CAS# 52749-17-4]

Identification

• Name: (2-{2-[(3-Ethyl-5-Methyl-1,3-Benzothiazol-2(3H)-Ylidene)Methyl]-1-Buten-1-Yl}-5-Methyl-1,3-Benzothiazol-3-Ium-3-Yl)Acetate
• Synonyms: 2-{2-[(1E)-2-ethyl-3-(3-ethyl-5-methyl(3-hydrobenzothiazol-2-ylidene))prop-1-enyl]-5-methylbenzothiazol-3-yl}acetic acid
• Molecular Formula: C₂₅H₂₆N₂O₂S₂
• Molecular Weight: 450.62
• CAS Registry Number: 52749-17-4
• SMILES: [O-]C(=O)C[n+]1c4cc(ccc4sc1C=C(C=C3Sc2ccc(cc2N3CC)C)CC)C
• InChI: 1S/C25H26N2O2S2/c1-5-18(13-23-26(6-2)19-11-16(3)7-9-21(19)30-23)14-24-27(15-25(28)29)20-12-17(4)8-10-22(20)31-24/h7-14H,5-6,15H2,1-4H3
• InChIKey: FRMNAFRWMAEMRV-UHFFFAOYSA-N