| SpectraBase Spectrum ID |
8VCCAr8c2Hg |
| Name |
Propionic acid, 2-acetylamino-2-(3-cyano-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-ylamino)-3,3,3-trifluoro-, methyl ester |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C16H18F3N3O3S |
| InChI |
InChI=1S/C16H18F3N3O3S/c1-9(23)21-15(14(24)25-2,16(17,18)19)22-13-11(8-20)10-6-4-3-5-7-12(10)26-13/h22H,3-7H2,1-2H3,(H,21,23) |
| InChIKey |
NGFLFOXCGLOCIW-UHFFFAOYSA-N |
| Molecular Weight |
389.393 g/mol |
| SMILES |
N(c1c(c2CCCCCc2s1)C#N)C(C(F)(F)F)(NC(=O)C)C(=O)OC |
| SPLASH |
splash10-0006-5923000000-d92d3beb33674d1cd4c8 |
| Source of Spectrum |
AD-0-2532-0 |
| Synonyms |
2-Acetamido-2-[(3-cyano-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl)amino]-3,3,3-trifluoro-propionic acid methyl ester
2-Acetamido-2-[(3-cyano-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl)amino]-3,3,3-trifluoropropanoic acid methyl ester
Methyl 2-(acetylamino)-2-[(3-cyano-5,6,7,8-tetrahydro-4H-cyclohepta[b]thien-2-yl)amino]-3,3,3-trifluoropropanoate
Methyl 2-acetamido-2-[(3-cyano-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl)amino]-3,3,3-trifluoro-propanoate
Methyl 2-acetamido-2-[(3-cyano-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl)amino]-3,3,3-tris(fluoranyl)propanoate |
| Wiley ID |
1419679 |
![alanine, N-acetyl-2-[(3-cyano-5,6,7,8-tetrahydro-4H-cyclohepta[b]thien-2-yl)amino]-3,3,3-trifluoro-, methyl ester](/api/spectrum/8VCCAr8c2Hg/structure.png?h=300&w=458 "alanine, N-acetyl-2-[(3-cyano-5,6,7,8-tetrahydro-4H-cyclohepta[b]thien-2-yl)amino]-3,3,3-trifluoro-, methyl ester")
