| SpectraBase Spectrum ID |
BIC8k1wvDpu |
| Name |
2-[[5-[(E)-3-amino-2-cyano-3-keto-prop-1-enyl]-2-hydroxy-3-methoxy-benzyl]thio]benzoic acid |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C19H16N2O5S |
| InChI |
InChI=1S/C19H16N2O5S/c1-26-15-8-11(6-12(9-20)18(21)23)7-13(17(15)22)10-27-16-5-3-2-4-14(16)19(24)25/h2-8,22H,10H2,1H3,(H2,21,23)(H,24,25)/b12-6+ |
| InChIKey |
HHSJLHLCRVVXSC-WUXMJOGZSA-N |
| Molecular Weight |
384.406 g/mol |
| SMILES |
OC(c1c(SCc2cc(cc(c2O)OC)\C=C\(C(=O)N)C#N)cccc1)=O |
| SPLASH |
splash10-0006-0295000000-2bdfe089d2e28ff1d32d |
| Source of Spectrum |
E1-36-3561-18 |
| Synonyms |
2-[[5-[(E)-3-amino-2-cyano-3-oxo-prop-1-enyl]-2-hydroxy-3-methoxy-phenyl]methylsulfanyl]benzoic acid
2-[[5-[(E)-3-amino-2-cyano-3-oxoprop-1-enyl]-2-hydroxy-3-methoxyphenyl]methylthio]benzoic acid
2-[[5-[(E)-3-azanyl-2-cyano-3-oxidanylidene-prop-1-enyl]-3-methoxy-2-oxidanyl-phenyl]methylsulfanyl]benzoic acid |
| Wiley ID |
1574791 |
![2-[[5-[(E)-3-amino-2-cyano-3-keto-prop-1-enyl]-2-hydroxy-3-methoxy-benzyl]thio]benzoic acid](/api/spectrum/BIC8k1wvDpu/structure.png?h=300&w=458 "2-[[5-[(E)-3-amino-2-cyano-3-keto-prop-1-enyl]-2-hydroxy-3-methoxy-benzyl]thio]benzoic acid")
