| SpectraBase Spectrum ID |
9IXT2ZsU0FA |
| Name |
Dimethyl-4-[N-benzyl-N-[2-(isopropylamino)ethyl]amino]-5-(methylthio)-7H-7,7-dimethylbenzo[b]thiopyran-2,3-dicarboxylate |
| Copyright |
Copyright © 2020-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C28H36N2O4S2 |
| InChI |
InChI=1S/C28H36N2O4S2/c1-18(2)29-13-14-30(17-19-11-9-8-10-12-19)24-22-20(35-7)15-28(3,4)16-21(22)36-25(27(32)34-6)23(24)26(31)33-5/h8-12,15-16,18,29H,13-14,17H2,1-7H3 |
| InChIKey |
ISMNEYWCYNBIOD-UHFFFAOYSA-N |
| Molecular Weight |
528.726 g/mol |
| SMILES |
N(CCN(C=1C(=C(SC2=CC(C)(C)C=C(C12)SC)C(=O)OC)C(=O)OC)Cc1ccccc1)C(C)C |
| SPLASH |
splash10-0204-7002790000-45f4b0704ac0a47701eb |
| Source of Spectrum |
J-56-1906-11 |
| Synonyms |
Dimethyl 4-{benzyl[2-(isopropylamino)ethyl]amino}-7,7-dimethyl-5-(methylsulfanyl)-7H-1-benzothiopyran-2,3-dicarboxylate |
| Wiley ID |
1403059 |
![Dimethyl-4-[N-benzyl-N-[2-(isopropylamino)ethyl]amino]-5-(methylthio)-7H-7,7-dimethylbenzo[b]thiopyran-2,3-dicarboxylate](/api/spectrum/9IXT2ZsU0FA/structure.png?h=300&w=458 "Dimethyl-4-[N-benzyl-N-[2-(isopropylamino)ethyl]amino]-5-(methylthio)-7H-7,7-dimethylbenzo[b]thiopyran-2,3-dicarboxylate")
