| SpectraBase Spectrum ID |
43yIPdQ7rE |
| Name |
(Z)-2-(2-((3-(ethoxycarbonyl)-4,5,6,7-tetra-hydrobenzo[b]thiophen-2-yl)carbamoyl)phenyl)-3-(1,3-diphenyl-1H-pyrazol-4-yl)acrylic acid |
| Alternate Name(s) |
(Z)-3-(1,3-diphenyl-1H-pyrazol-4-yl)-2-(2-((3-(ethoxycarbonyl)-4,5,6,7-tetrahydrobenzo[b]thiophen-2-yl)carbamoyl)phenyl)acrylic acid |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C36H31N3O5S |
| InChI |
InChI=1S/C36H31N3O5S/c1-2-44-36(43)31-28-19-11-12-20-30(28)45-34(31)37-33(40)27-18-10-9-17-26(27)29(35(41)42)21-24-22-39(25-15-7-4-8-16-25)38-32(24)23-13-5-3-6-14-23/h3-10,13-18,21-22H,2,11-12,19-20H2,1H3,(H,37,40)(H,41,42)/b29-21- |
| InChIKey |
WTKITZRKCPXJPK-ANYBSYGZSA-N |
| Literature Reference DOI |
10.1080/00397911.2015.1030760 |
| Molecular Weight |
617.720 g/mol |
| SMILES |
OC(\C(c1ccccc1C(Nc1c(c2c(s1)CCCC2)C(=O)OCC)=O)=C\c1c(n[n](c1)-c1ccccc1)-c1ccccc1)=O |
| SPLASH |
splash10-000t-3079011000-cf55768d57688555aa11 |
| Source of Spectrum |
SK-45-1632/SM9-13 |
| Wiley ID |
1805697 |
![(Z)-2-(2-((3-(ethoxycarbonyl)-4,5,6,7-tetra-hydrobenzo[b]thiophen-2-yl)carbamoyl)phenyl)-3-(1,3-diphenyl-1H-pyrazol-4-yl)acrylic acid](/api/spectrum/43yIPdQ7rE/structure.png?h=300&w=458 "(Z)-2-(2-((3-(ethoxycarbonyl)-4,5,6,7-tetra-hydrobenzo[b]thiophen-2-yl)carbamoyl)phenyl)-3-(1,3-diphenyl-1H-pyrazol-4-yl)acrylic acid")
