| SpectraBase Spectrum ID |
BOsppefY2sP |
| Name |
Methyl threo-2-hydroxy-2-( 5'-benzyl-3'-nitro-2'-thienylthio)-3-( 4'-methoxyphenyl)propionate |
| Comments |
Less than 3 mono-isotopic peaks |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C22H21NO6S2 |
| InChI |
InChI=1S/C22H21NO6S2/c1-28-17-10-8-16(9-11-17)14-22(25,21(24)29-2)31-20-19(23(26)27)13-18(30-20)12-15-6-4-3-5-7-15/h3-11,13,25H,12,14H2,1-2H3 |
| InChIKey |
UKQKTXHKYGBIDX-UHFFFAOYSA-N |
| Molecular Weight |
459.531 g/mol |
| SMILES |
OC(Sc1c(N(=O)=O)cc(Cc2ccccc2)s1)(C(=O)OC)Cc1ccc(cc1)OC |
| SPLASH |
splash10-00di-0900000000-9e1f99e2be411c6cf8eb |
| Source of Spectrum |
AH-126-574-11 |
| Synonyms |
methyl 2-[(5-benzyl-3-nitro-2-thienyl)sulfanyl]-2-hydroxy-3-(4-methoxyphenyl)propanoate |
| Wiley ID |
1390183 |
