Systematic / IUPAC Name: Ethyl 4-[({5-[(cyclopropylmethyl)sulfanyl]-1,3,4-thiadiazol-2-yl}sulfanyl)methyl]-2-phenyl-1,3-thiazole-5-carboxylate
ID: Reference4650
Other Names: 5-Thiazolecarboxylic acid, 4-[({5-[(cyclopropylmethyl)thio]-1,3,4-thiadiazol-2-yl}thio)methyl]-2-phenyl-, ethyl ester
Formula: C19H19N3O2S4
Ethyl 4-[({5-[(cyclopropylmethyl)thio]-1,3,4-thiadiazol-2-yl}thio)methyl]-2-phenyl-1,3-thiazole-5-carboxylate mass spectral data can be found in a separate interface. The data are manually curated and of the highest quality.
Used Instruments | Q Exactive Orbitrap |
No. of Spectral Trees | 1 |
No. of Spectra | 117 |
Tandem Spectra | MS1, MS2 |
Ionization Methods | ESI |
Analyzers | FT |
Last Modification | 4/26/2016 9:51:51 AM |
InChI | InChI=1S/C19H19N3O2S4/c1-2-24-17(23)15-14(20-16(27-15)13-6-4-3-5-7-13)11-26-19-22-21-18(28-19)25-10-12-8-9-12/h3-7,12H,2,8-11H2,1H3 |
InChI Key | PPSMMRHSUTVCEM-UHFFFAOYSA-N |
Canonical SMILES | CCOC(=O)C1=C(N=C(S1)C2=CC=CC=C2)CSC3=NN=C(S3)SCC4CC4 |
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Other Names | 5-Thiazolecarboxylic acid, 4-[({5-[(cyclopropylmethyl)thio]-1,3,4-thiadiazol-2-yl}thio)methyl]-2-phenyl-, ethyl ester |