| SpectraBase Spectrum ID |
4d7jc16tVL9 |
| Name |
4-(3-Cyano-4,5,6,7-tetrahydrobenzo[b]thiophen-2-ylcarbamoyl)-2-oxobut-3-enoic acid |
| Comments |
Less than 3 mono-isotopic peaks |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C14H12N2O4S |
| InChI |
InChI=1S/C14H12N2O4S/c15-7-9-8-3-1-2-4-11(8)21-13(9)16-12(18)6-5-10(17)14(19)20/h5-6H,1-4H2,(H,16,18)(H,19,20)/b6-5+ |
| InChIKey |
HNYKCINDWQEAAS-AATRIKPKSA-N |
| Molecular Weight |
304.320 g/mol |
| SMILES |
N(c1c(c2CCCCc2s1)C#N)C(\C=C\C(C(=O)O)=O)=O |
| SPLASH |
splash10-0a4i-0091000000-c7beee09a49f00d7cdbb |
| Source of Spectrum |
F2-45-5940-12 |
| Synonyms |
(E)-5-[(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)amino]-2,5-dioxo-3-pentenoic acid
(E)-5-[(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)amino]-2,5-dioxopent-3-enoic acid
(E)-5-[(3-cyano-4,5,6,7-tetrahydrobenzothiophen-2-yl)amino]-2,5-dioxo-pent-3-enoic acid
(E)-5-[(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)amino]-2,5-bis(oxidanylidene)pent-3-enoic acid |
| Wiley ID |
1703364 |
![4-(3-Cyano-4,5,6,7-tetrahydrobenzo[b]thiophen-2-ylcarbamoyl)-2-oxobut-3-enoic acid](/api/spectrum/4d7jc16tVL9/structure.png?h=300&w=458 "4-(3-Cyano-4,5,6,7-tetrahydrobenzo[b]thiophen-2-ylcarbamoyl)-2-oxobut-3-enoic acid")
