| SpectraBase Spectrum ID |
KXi9E0Kb5jQ |
| Name |
Benzoic acid, 2-[[1-(3-cyano-4,5,6,7-tetrahydrobenzo[B]thien-2-yl)-2,5-dioxo-3-pyrrolidinyl]thio]- |
| Comments |
Computed using HOSE algorithm |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
412.055149347 u |
| Formula |
C20H16N2O4S2 |
| InChI |
InChI=1S/C20H16N2O4S2/c21-10-13-11-5-1-3-7-14(11)28-19(13)22-17(23)9-16(18(22)24)27-15-8-4-2-6-12(15)20(25)26/h2,4,6,8,16H,1,3,5,7,9H2,(H,25,26) |
| InChIKey |
IQZYBWBKTMTKHW-UHFFFAOYSA-N |
| Molecular Weight |
412.478 g/mol |
| SMILES |
OC(C1=C(SC2C(N(C3=C(C=4CCCCC4S3)C#N)C(C2)=O)=O)C=CC=C1)=O |
![Benzoic acid, 2-[[1-(3-cyano-4,5,6,7-tetrahydrobenzo[B]thien-2-yl)-2,5-dioxo-3-pyrrolidinyl]thio]-](/api/spectrum/KXi9E0Kb5jQ/structure.png?h=300&w=458 "Benzoic acid, 2-[[1-(3-cyano-4,5,6,7-tetrahydrobenzo[B]thien-2-yl)-2,5-dioxo-3-pyrrolidinyl]thio]-")
