| SpectraBase Spectrum ID |
9MSS7bX3nq3 |
| Name |
(1R,2S)-3-[bis(methylthio)methyl]-4-cyano-2-hydroxy-2-phenyl-1-cyclopent-3-enecarboxylic acid ethyl ester |
| Comments |
Less than 3 mono-isotopic peaks |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C18H21NO3S2 |
| InChI |
InChI=1S/C18H21NO3S2/c1-4-22-16(20)14-10-12(11-19)15(17(23-2)24-3)18(14,21)13-8-6-5-7-9-13/h5-9,14,17,21H,4,10H2,1-3H3/t14-,18+/m0/s1 |
| InChIKey |
NRDPOPQEXWPOIT-KBXCAEBGSA-N |
| Molecular Weight |
363.490 g/mol |
| SMILES |
O[C@]1(C(=C(C#N)C[C@]1(C(=O)OCC)[H])C(SC)SC)c1ccccc1 |
| SPLASH |
splash10-014i-0009000000-96f97a0e0638b2eb52ab |
| Source of Spectrum |
KC-0-2441-4 |
| Synonyms |
(1R,2S)-3-[bis(methylthio)methyl]-4-cyano-2-hydroxy-2-phenyl-cyclopent-3-ene-1-carboxylic acid ethyl ester
ethyl (1R,2S)-3-[bis(methylsulfanyl)methyl]-4-cyano-2-hydroxy-2-phenyl-cyclopent-3-ene-1-carboxylate
ethyl (1R,2S)-3-[bis(methylsulfanyl)methyl]-4-cyano-2-oxidanyl-2-phenyl-cyclopent-3-ene-1-carboxylate |
| Wiley ID |
782093 |
![(1R,2S)-3-[bis(methylthio)methyl]-4-cyano-2-hydroxy-2-phenyl-1-cyclopent-3-enecarboxylic acid ethyl ester](/api/spectrum/9MSS7bX3nq3/structure.png?h=300&w=458 "(1R,2S)-3-[bis(methylthio)methyl]-4-cyano-2-hydroxy-2-phenyl-1-cyclopent-3-enecarboxylic acid ethyl ester")
