| Properties | Image |
|---|
| MNX_ID | MNXM174143 |
 |
| reference | chebi:91197 |
| formula | C23H23ClN2O5S |
| global charge | 0 |
| mol weight | 474.966 |
| InChIKey | LLIFMNUXGDHTRO-OAHLLOKOSA-N |
| InChI | InChI=1S/C23H23ClN2O5S/c1-14-21(25-23(29)30-15(2)18-5-3-4-6-19(18)24)22(31-26-14)17-9-7-16(8-10-17)13-32-12-11-20(27)28/h3-10,15H,11-13H2,1-2H3,(H,25,29)(H,27,28)/t15-/m1/s1 |
| SMILES | CC1=NOC(C2=CC=C(CSCCC(=O)O)C=C2)=C1NC(=O)O[C@H](C)C1=CC=CC=C1Cl |
MNX internals
| InChI (mnx) | InChI=1/C23H23ClN2O5S/c1-14-21(25-23(29)30-15(2)18-5-3-4-6-19(18)24)22(31-26-14)17-9-7-16(8-10-17)13-32-12-11-20(27)28/h3-10,15H,11-13H2,1-2H3,(H,25,29)(H,27,28)/t15-/m1/s1 |
 |
| SMILES (mnx) | [CH3:1][C:14]1=[N:26][O:31][C:22]([C:17]2=[CH:10][CH:8]=[C:16]([CH2:13][S:32][CH2:12][CH2:11][C:20](=[O:27])[OH:28])[CH:7]=[CH:9]2)=[C:21]1[N:25]=[C:23]([OH:29])[O:30][C@H:15]([CH3:2])[C:18]1=[CH:5][CH:3]=[CH:4][CH:6]=[C:19]1[Cl:24] |
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