| SpectraBase Spectrum ID |
9OEvXVADe4Y |
| Name |
2-Ethoxycarbonyl-5-methoxycarbonyl-8-(3-chloro-4-fluorophenyl)-6-methylthio-1,2,3,4-tetrahydroisoquinoline |
| Alternate Name(s) |
2-Ethyl 5-methyl 8-(3-chloro-4-fluorophenyl)-6-(methylsulfanyl)-3,4-dihydro-2,5(1H)-isoquinolinedicarboxylate |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C21H21ClFNO4S |
| InChI |
InChI=1S/C21H21ClFNO4S/c1-4-28-21(26)24-8-7-13-15(11-24)14(12-5-6-17(23)16(22)9-12)10-18(29-3)19(13)20(25)27-2/h5-6,9-10H,4,7-8,11H2,1-3H3 |
| InChIKey |
FZROSKLLLICYFF-UHFFFAOYSA-N |
| Molecular Weight |
437.913 g/mol |
| SMILES |
c12c(c(C(=O)OC)c(cc2-c2cc(Cl)c(cc2)F)SC)CCN(C1)C(=O)OCC |
| SPLASH |
splash10-00kr-0004900000-63273dce91576c791e3d |
| Source of Spectrum |
SO-0-470-5 |
| Wiley ID |
876410 |
