| SpectraBase Spectrum ID |
2B2GrAX8rwu |
| Name |
4-Benzoyl-1-ethyl-5-methylthio-2-oxo-3-pyrrolin-3-acetic acid |
| Alternate Name(s) |
[4-benzoyl-1-ethyl-5-(methylsulfanyl)-2-oxo-2,5-dihydro-1H-pyrrol-3-yl]acetic acid |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C16H17NO4S |
| InChI |
InChI=1S/C16H17NO4S/c1-3-17-15(21)11(9-12(18)19)13(16(17)22-2)14(20)10-7-5-4-6-8-10/h4-8,16H,3,9H2,1-2H3,(H,18,19) |
| InChIKey |
AZLHRNNXXVVYNT-UHFFFAOYSA-N |
| Molecular Weight |
319.375 g/mol |
| SMILES |
OC(CC=1C(N(C(C1C(c1ccccc1)=O)SC)CC)=O)=O |
| SPLASH |
splash10-004i-0090000000-843741581d8f67ca651f |
| Source of Spectrum |
SO-0-284-3 |
| Wiley ID |
1539869 |
