RefChem:299351
2-[5-[2-(3-ethyl-5,6-dimethyl-1,3-benzoxazol-2-ylidene)ethylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]acetic acid
Also Known As: EINECS 268-693-4|3-Thiazolidineacetic acid, 5-[(3-ethyl-5,6-dimethyl-2(3H)-benzoxazolylidene)ethylidene]-4-oxo-2-thioxo-|3-Carboxymethyl-5-((3-ethyl-5,6-dimethyl-2-benzoxazolinylidene)ethylidene)rhodanine|3-Thiazolidineacetic acid, 5-((3-ethyl-5,6-dimethyl-2(3H)-benzoxazolylidene)ethylidene)-4-oxo-2-thioxo-|3-Thiazolidineacetic acid, 5-(2-(3-ethyl-5,6-dimethyl-2(3H)-benzoxazolylidene)ethylidene)-4-oxo-2-thioxo-|5-(2-(3-Ethyl-5,6-dimethyl-2(3H)-benzoxazolylidene)ethylidene)-4-oxo-2-thioxo-3-thiazolidineacetic acid|5-[(3-ethyl-5,6-dimethylbenzoxazol-2(3H)-ylidene)ethylidene]-4-oxo-2-thioxothiazolidin-3-acetic acid|5-[2-(3-Ethyl-5,6-dimethyl-2(3H)-benzoxazolylidene)ethylidene]-4-oxo-2-thioxo-3-thiazolidineacetic acid
| Molecular Formula | C18H18N2O4S2 |
|---|---|
| Molecular Weight | 390.0708 g/mol |
| LogP | 3.19 |
| Topological Polar Surface Area | 70.08 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 4 |
| Exact Mass | 390.0708 |
| Heavy Atoms | 26 |
| Complexity | 876.2 |
Chemical Identifiers
| CAS Number | 68133-61-9 |
|---|---|
| SMILES | CCN1C2=C(C=C(C(=C2)C)C)OC1=CC=C3C(=O)N(C(=S)S3)CC(=O)O |
Product Overview
RefChem:299351 (CAS 68133-61-9), with molecular formula C18H18N2O4S2 and molecular weight 390.0708 g/mol. IUPAC: 2-[5-[2-(3-ethyl-5,6-dimethyl-1,3-benzoxazol-2-ylidene)ethylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]acetic acid.
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