| SpectraBase Spectrum ID |
1H0LxcKZULt |
| Name |
1,4-Thiazepane-3-carboxylic acid, 2,2-dimethyl-5-oxo-6-[(2-phenylacetyl)amino]-, methyl ester |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C17H22N2O4S |
| InChI |
InChI=1S/C17H22N2O4S/c1-17(2)14(16(22)23-3)19-15(21)12(10-24-17)18-13(20)9-11-7-5-4-6-8-11/h4-8,12,14H,9-10H2,1-3H3,(H,18,20)(H,19,21)/t12-,14-/m0/s1 |
| InChIKey |
BFWUQXLUBXOGTD-JSGCOSHPSA-N |
| Molecular Weight |
350.433 g/mol |
| SMILES |
N1C([C@@](NC(=O)Cc2ccccc2)(CSC([C@@]1(C(=O)OC)[H])(C)C)[H])=O |
| SPLASH |
splash10-016u-2921000000-508285b71fd538bb3511 |
| Source of Spectrum |
U-1997-1717-13 |
| Synonyms |
2,2-Dimethyl-5-oxo-6-[(1-oxo-2-phenylethyl)amino]-1,4-thiazepane-3-carboxylic acid methyl ester
5-keto-2,2-dimethyl-6-[(2-phenylacetyl)amino]-1,4-thiazepane-3-carboxylic acid methyl ester
Methyl 2,2-dimethyl-5-oxidanylidene-6-(2-phenylethanoylamino)-1,4-thiazepane-3-carboxylate
Methyl 2,2-dimethyl-5-oxo-6-[(2-phenylacetyl)amino]-1,4-thiazepane-3-carboxylate
Methyl 2,2-dimethyl-5-oxo-6-[(phenylacetyl)amino]-1,4-thiazepane-3-carboxylate |
| Wiley ID |
770085 |
![1,4-Thiazepane-3-carboxylic acid, 2,2-dimethyl-5-oxo-6-[(2-phenylacetyl)amino]-, methyl ester](/api/spectrum/1H0LxcKZULt/structure.png?h=300&w=458 "1,4-Thiazepane-3-carboxylic acid, 2,2-dimethyl-5-oxo-6-[(2-phenylacetyl)amino]-, methyl ester")
