| SpectraBase Spectrum ID |
1xoF1MuPce |
| Name |
p-Nitrobenzyl 3-ethylthio-7-methoxy-1-dethia-2-thia-3-cephemcarboxylate |
| Alternate Name(s) |
4-Nitrobenzyl (7S)-3-(ethylsulfanyl)-7-methoxy-8-oxo-4-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C17H18N2O6S2 |
| InChI |
InChI=1S/C17H18N2O6S2/c1-3-26-17-13(18-12(9-27-17)14(24-2)15(18)20)16(21)25-8-10-4-6-11(7-5-10)19(22)23/h4-7,12,14H,3,8-9H2,1-2H3/t12?,14-/m0/s1 |
| InChIKey |
YQYQWZIXIZWXRF-PYMCNQPYSA-N |
| Molecular Weight |
410.459 g/mol |
| SMILES |
C1(N2C([C@@]1(OC)[H])CSC(=C2C(OCc1ccc(N(=O)=O)cc1)=O)SCC)=O |
| SPLASH |
splash10-0gx0-0009200000-ee9c2810a920da823f6f |
| Source of Spectrum |
H1-34-79-18 |
| Wiley ID |
754525 |
