EMBL-EBI | Chemical Biology | ChEBI
Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search
CHEBI:113151 - 2-[2-[(3-chloro-1-benzothiophen-2-yl)-oxomethyl]imino-6-sulfamoyl-1,3-benzothiazol-3-yl]acetic acid ethyl ester
| Formula | C20H16ClN3O5S3 |
| Net Charge | 0 |
| Average Mass | 510.018 |
| Monoisotopic Mass | 508.99406 |
| SMILES | CCOC(=O)Cn1c(=NC(=O)c2sc3ccccc3c2Cl)sc2cc(S(N)(=O)=O)ccc21 |
| InChI | InChI=1S/C20H16ClN3O5S3/c1-2-29-16(25)10-24-13-8-7-11(32(22,27)28)9-15(13)31-20(24)23-19(26)18-17(21)12-5-3-4-6-14(12)30-18/h3-9H,2,10H2,1H3,(H2,22,27,28) |
| InChIKey | PFUIZHAZQWAOBU-UHFFFAOYSA-N |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| 2-[2-[(3-chloro-1-benzothiophen-2-yl)-oxomethyl]imino-6-sulfamoyl-1,3-benzothiazol-3-yl]acetic acid ethyl ester (CHEBI:113151) is a α-amino acid ester (CHEBI:46874) |
| Manual Xrefs | Databases |
|---|---|
| LSM-24562 | LINCS |