| SpectraBase Spectrum ID |
93HZkW2K1Ba |
| Name |
Methyl 2-(4'-oxo-2'-thioxo-1',3'-thiazepan-3'-yl)benzoate |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C13H13NO3S2 |
| InChI |
InChI=1S/C13H13NO3S2/c1-17-12(16)9-5-2-3-6-10(9)14-11(15)7-4-8-19-13(14)18/h2-3,5-6H,4,7-8H2,1H3 |
| InChIKey |
DXEKYHWJBVSZQP-UHFFFAOYSA-N |
| Molecular Weight |
295.371 g/mol |
| SMILES |
c1(N2C(SCCCC2=O)=S)c(C(=O)OC)cccc1 |
| SPLASH |
splash10-01ox-0910000000-7bb7adcb898b93fe2a26 |
| Source of Spectrum |
Y-36-1172-6 |
| Synonyms |
Methyl 2-(4-oxo-2-thioxotetrahydro-1,3-thiazepin-3(2H)-yl)benzoate
2-(4-oxo-2-sulfanylidene-1,3-thiazepan-3-yl)benzoic acid methyl ester
Methyl 2-(4-oxo-2-sulfanylidene-1,3-thiazepan-3-yl)benzoate
Methyl 2-(4-oxo-2-thioxo-1,3-thiazepan-3-yl)benzoate
Methyl 2-(4-oxidanylidene-2-sulfanylidene-1,3-thiazepan-3-yl)benzoate |
| Wiley ID |
762442 |
