| SpectraBase Spectrum ID |
3DeVlNFeF4Z |
| Name |
2H-1-Benzothiopyran-2,3-dicarboxylic acid, 4-cyano-3,4-dihydro-, diethyl ester, (2.alpha.,3.alpha.,4.beta.)- |
| Alternate Name(s) |
Diethyl (2R,3R,4S)-4-cyano-3,4-dihydro-2H-1-benzothiopyran-2,3-dicarboxylate
Diethyl trans-4-cyanothiochroman-cis-2,3-dicarboxylate |
| CAS Registry Number |
132681-56-2 |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C16H17NO4S |
| InChI |
InChI=1S/C16H17NO4S/c1-3-20-15(18)13-11(9-17)10-7-5-6-8-12(10)22-14(13)16(19)21-4-2/h5-8,11,13-14H,3-4H2,1-2H3/t11-,13+,14-/m1/s1 |
| InChIKey |
VQOFIACCWJUHDZ-KWCYVHTRSA-N |
| Molecular Weight |
319.375 g/mol |
| SMILES |
[C@@]1([C@@](Sc2c([C@]1(C#N)[H])cccc2)(C(=O)OCC)[H])(C(=O)OCC)[H] |
| SPLASH |
splash10-00di-0922000000-baa357e16c444873b35f |
| Source of Spectrum |
KC-1990-2976-9 |
| Wiley ID |
1319256 |
