2-[(2E,5E)-2-[3-(Carboxymethyl)-4-Oxo-2-Sulfanylidene-1,3-Thiazolidin-5-Ylidene]-5-[(2E)-2-(3-Ethyl-1,3-Benzothiazol-2-Ylidene)Ethylidene]-4-Oxo-1,3-Thiazolidin-3-Yl]Acetic Acid
[CAS# 33006-80-3]

Identification

• Name: 2-[(2E,5E)-2-[3-(Carboxymethyl)-4-Oxo-2-Sulfanylidene-1,3-Thiazolidin-5-Ylidene]-5-[(2E)-2-(3-Ethyl-1,3-Benzothiazol-2-Ylidene)Ethylidene]-4-Oxo-1,3-Thiazolidin-3-Yl]Acetic Acid
• Synonyms: 2-[(2E,5E)-2-[3-(Carboxymethyl)-4-Oxo-2-Thioxo-Thiazolidin-5-Ylidene]-5-[(2E)-2-(3-Ethyl-1,3-Benzothiazol-2-Ylidene)Ethylidene]-4-Oxo-Thiazolidin-3-Yl]Acetic Acid; 2-[(2E,5E)-2-[3-(Carboxymethyl)-4-Oxo-2-Thioxo-5-Thiazolidinylidene]-5-[(2E)-2-(3-Ethyl-1,3-Benzothiazol-2-Ylidene)Ethylidene]-4-Oxo-3-Thiazolidinyl]Acetic Acid; 2-[(2E,5E)-2-[3-(Carboxymethyl)-4-Keto-2-Thioxo-Thiazolidin-5-Ylidene]-5-[(2E)-2-(3-Ethyl-1,3-Benzothiazol-2-Ylidene)Ethylidene]-4-Keto-Thiazolidin-3-Yl]Acetic Acid
• Molecular Formula: C₂₁H₁₇N₃O₆S₄
• Molecular Weight: 535.62
• CAS Registry Number: 33006-80-3
• EINECS: 251-333-5
• SMILES: C2=C1N(/C(SC1=CC=C2)=C\C=C/3SC(/N(C3=O)CC(=O)O)=C\4SC(=S)N(C4=O)CC(=O)O)CC
• InChI: 1S/C21H17N3O6S4/c1-2-22-11-5-3-4-6-12(11)32-14(22)8-7-13-18(29)23(9-15(25)26)20(33-13)17-19(30)24(10-16(27)28)21(31)34-17/h3-8H,2,9-10H2,1H3,(H,25,26)(H,27,28)/b13-7+,14-8+,20-17+
• InChIKey: OIVXXGLSVHGVOJ-BOHMQVRCSA-N

Properties

• Density: 1.753g/cm³ (Cal.)
• Boiling point: 681.967°C at 760 mmHg (Cal.)
• Flash point: 366.241°C (Cal.)