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Home >> Chemical Listing >> Page 1792 >> 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

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]

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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 Structure CAS#: 54444-09-6, 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
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