2-[(E)-{5-Carbamoyl-3-[(Z)-(3-Ethyl-1,3-Benzothiazol-2(3H)-Ylidene)Methyl]-2-Cyclohexen-1-Ylidene}Methyl]-3-Ethyl-1,3-Benzothiazol-3-Ium Iodide
[CAS# 34719-10-3]

Identification

• Name: 2-[(E)-{5-Carbamoyl-3-[(Z)-(3-Ethyl-1,3-Benzothiazol-2(3H)-Ylidene)Methyl]-2-Cyclohexen-1-Ylidene}Methyl]-3-Ethyl-1,3-Benzothiazol-3-Ium Iodide
• Synonyms: 2-[(5-(aminocarbonyl)-3-{[3-ethyl-1,3-benzothiazol-2(3H)-ylidene]methyl}-2-cyclohexen-1-ylidene)methyl]-3-ethyl-1,3-benzothiazol-3-ium iodide; Benzothiazolium, 2-[[5-(aminocarbonyl)-3-[(3-ethyl-2(3H)-benzothiazolylidene)methyl]-2-cyclohexen-1-ylidene]methyl]-3-ethyl-, iodide (9CI)
• Molecular Formula: C₂₇H₂₈IN₃OS₂
• Molecular Weight: 601.57
• CAS Registry Number: 34719-10-3
• SMILES: CC[n+]1c2ccccc2sc1C=C3CC(CC(=C3)C=C4N(c5ccccc5S4)CC)C(=O)N.[I-]
• InChI: 1S/C27H27N3OS2.HI/c1-3-29-21-9-5-7-11-23(21)32-25(29)16-18-13-19(15-20(14-18)27(28)31)17-26-30(4-2)22-10-6-8-12-24(22)33-26;/h5-13,16-17,20H,3-4,14-15H2,1-2H3,(H-,28,31);1H
• InChIKey: VLLDMEMHESNPRF-UHFFFAOYSA-N