CHEBI:116401 - 2-cyano-2-[5-[[4-(difluoromethoxy)-3-methoxyphenyl]methylidene]-3-(3-methoxypropyl)-4-oxo-2-thiazolidinylidene]-N-(2-methoxyethyl)acetamide

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
ChEBI Name 2-cyano-2-[5-[[4-(difluoromethoxy)-3-methoxyphenyl]methylidene]-3-(3-methoxypropyl)-4-oxo-2-thiazolidinylidene]-N-(2-methoxyethyl)acetamide
ChEBI ID CHEBI:116401
Stars This entity has been manually annotated by a third party.
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Formula C22H25F2N3O6S
Net Charge 0
Average Mass 497.514
Monoisotopic Mass 497.14321
InChI InChI=1S/C22H25F2N3O6S/c1-30-9-4-8-27-20(29)18(34-21(27)15(13-25)19(28)26-7-10-31-2)12-14-5-6-16(33-22(23)24)17(11-14)32-3/h5-6,11-12,22H,4,7-10H2,1-3H3,(H,26,28)
InChIKey SFCAECFGEDOCOT-UHFFFAOYSA-N
SMILES COCCCN1C(=O)C(=CC2=CC(=C(C=C2)OC(F)F)OC)SC1=C(C#N)C(=O)NCCOC
ChEBI Ontology
Outgoing 2-cyano-2-[5-[[4-(difluoromethoxy)-3-methoxyphenyl]methylidene]-3-(3-methoxypropyl)-4-oxo-2-thiazolidinylidene]-N-(2-methoxyethyl)acetamide (CHEBI:116401) is a methoxybenzenes (CHEBI:51683)
Manual Xref Database
LSM-27855 LINCS
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