| SpectraBase Spectrum ID |
JJ5twW3GAPK |
| Name |
(5E)-5-[(3ar,6as)-2-oxo-3-(Phenylmethyl)-1,3A,4,6A-tetrahydrothieno[3,4-D]imidazol-6-ylidene]pentanoic acid methyl ester |
| Comments |
Computed using HOSE algorithm |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
346.135113747 u |
| Formula |
C18H22N2O3S |
| InChI |
InChI=1S/C18H22N2O3S/c1-23-16(21)10-6-5-9-15-17-14(12-24-15)20(18(22)19-17)11-13-7-3-2-4-8-13/h2-4,7-9,14,17H,5-6,10-12H2,1H3,(H,19,22)/b15-9+/t14-,17-/m0/s1 |
| InChIKey |
FOXMAVOLQJAGBG-QFYPQXEXSA-N |
| Molecular Weight |
346.445 g/mol |
| SMILES |
C1(N([C@@]2([C@](N1)(\C(SC2)=C/CCCC(=O)OC)[H])[H])CC1=CC=CC=C1)=O |
![(5E)-5-[(3aR,6aS)-2-oxo-3-(phenylmethyl)-1,3a,4,6a-tetrahydrothieno[3,4-d]imidazol-6-ylidene]pentanoic acid methyl ester](/api/spectrum/JJ5twW3GAPK/structure.png?h=300&w=458 "(5E)-5-[(3aR,6aS)-2-oxo-3-(phenylmethyl)-1,3a,4,6a-tetrahydrothieno[3,4-d]imidazol-6-ylidene]pentanoic acid methyl ester")
