3-[(2Z)-2-[(2E)-4-(1,3-Dibutyl-4,6-Dioxo-2-Thioxotetrahydro-5(2H)-Pyrimidinylidene)-2-Buten-1-Ylidene]-1,3-Benzothiazol-3(2H)-Yl]-1-Propanesulfonate
[CAS# 54444-09-6]

Identification

• Name: 3-[(2Z)-2-[(2E)-4-(1,3-Dibutyl-4,6-Dioxo-2-Thioxotetrahydro-5(2H)-Pyrimidinylidene)-2-Buten-1-Ylidene]-1,3-Benzothiazol-3(2H)-Yl]-1-Propanesulfonate
• Molecular Formula: C₂₆H₃₂N₃O₅S₃
• Molecular Weight: 562.74
• CAS Registry Number: 54444-09-6
• SMILES: CCCCN1C(=O)C(=CC=CC=C2N(c3ccccc3S2)CCCS(=O)(=O)[O-])C(=O)N(C1=S)CCCC
• InChI: 1S/C26H33N3O5S3/c1-3-5-16-28-24(30)20(25(31)29(26(28)35)17-6-4-2)12-7-10-15-23-27(18-11-19-37(32,33)34)21-13-8-9-14-22(21)36-23/h7-10,12-15H,3-6,11,16-19H2,1-2H3,(H,32,33,34)/p-1/b10-7+,23-15-
• InChIKey: JOKGJINMIURFRM-DXDRQYPZSA-M