| SpectraBase Spectrum ID |
2TKsVCrHQ9H |
| Name |
Thioether |
| Alternate Name(s) |
(2R,3aR,10bR,12bS)-2-Ethyl-1-thioxo-2-p-tolylsulfanyl-2,3,3a,4,6,11,12,12b-octahydro-1H-6,12a-diaza-indeno[7,1-cd]fluorene-5-carboxylic acid methyl ester |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C28H30N2O2S2 |
| InChI |
InChI=1S/C28H30N2O2S2/c1-4-27(34-19-11-9-17(2)10-12-19)16-18-15-20(25(31)32-3)23-28(13-14-30(24(18)28)26(27)33)21-7-5-6-8-22(21)29-23/h5-12,18,24,29H,4,13-16H2,1-3H3/t18-,24+,27-,28+/m1/s1 |
| InChIKey |
CXNRDMAPIYPYPQ-BUTNXZJASA-N |
| Molecular Weight |
490.680 g/mol |
| SMILES |
N1c2c([C@]34C1=C(C[C@@]1(C[C@](C(N([C@]41[H])CC3)=S)(Sc1ccc(cc1)C)CC)[H])C(=O)OC)cccc2 |
| SPLASH |
splash10-00kf-1319800000-138784ba4fea13f18cbe |
| Source of Spectrum |
J-58-6082-28 |
| Wiley ID |
1397260 |
