| Properties | Image |
|---|
| MNX_ID | MNXM819794 |
 |
| reference | sabiorkM:31305 |
| formula | C19H17ClFN3O6S |
| global charge | 0 |
| mol weight | 469.878 |
| InChIKey | ZUBWLMQDPXVIGD-JKIFEVAISA-N |
| InChI | InChI=1S/C19H17ClFN3O6S/c1-19(2)14(18(28)29)24-16(27)13(17(24)31-19)22-15(26)11-9(6-25)30-23-12(11)10-7(20)4-3-5-8(10)21/h3-5,13-14,17,25H,6H2,1-2H3,(H,22,26)(H,28,29)/t13-,14+,17-/m1/s1 |
| SMILES | CC1(C)S[C@@H]2[C@H](N=C(O)C3=C(CO)ON=C3C3=C(Cl)C=CC=C3F)C(=O)N2[C@H]1C(=O)O |
MNX internals
| InChI (mnx) | InChI=1/C19H17ClFN3O6S/c1-19(2)14(18(28)29)24-16(27)13(17(24)31-19)22-15(26)11-9(6-25)30-23-12(11)10-7(20)4-3-5-8(10)21/h3-5,13-14,17,25H,6H2,1-2H3,(H,22,26)(H,28,29)/t13-,14+,17-/m1/s1 |
 |
| SMILES (mnx) | [CH3:1][C:19]1([CH3:2])[C@H:14]([C:18](=[O:28])[OH:29])[N:24]2[C:16](=[O:27])[C@@H:13]([N:22]=[C:15]([C:11]3=[C:9]([CH2:6][OH:25])[O:30][N:23]=[C:12]3[C:10]3=[C:7]([Cl:20])[CH:4]=[CH:3][CH:5]=[C:8]3[F:21])[OH:26])[C@H:17]2[S:31]1 |
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