CHEBI:109586 - 2-[2-[[1,3-dioxo-2-[2-(trifluoromethyl)phenyl]-4-isoquinolinylidene]methylamino]-4-thiazolyl]acetic acid ethyl ester

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
ChEBI Name 2-[2-[[1,3-dioxo-2-[2-(trifluoromethyl)phenyl]-4-isoquinolinylidene]methylamino]-4-thiazolyl]acetic acid ethyl ester
ChEBI ID CHEBI:109586
Stars This entity has been manually annotated by a third party.
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Formula C24H18F3N3O4S
Net Charge 0
Average Mass 501.480
Monoisotopic Mass 501.09701
InChI InChI=1S/C24H18F3N3O4S/c1-2-34-20(31)11-14-13-35-23(29-14)28-12-17-15-7-3-4-8-16(15)21(32)30(22(17)33)19-10-6-5-9-18(19)24(25,26)27/h3-10,12-13H,2,11H2,1H3,(H,28,29)
InChIKey WKGGBAOWGXKNGQ-UHFFFAOYSA-N
SMILES CCOC(=O)CC1=CSC(=N1)NC=C2C3=CC=CC=C3C(=O)N(C2=O)C4=CC=CC=C4C(F)(F)F
ChEBI Ontology
Outgoing 2-[2-[[1,3-dioxo-2-[2-(trifluoromethyl)phenyl]-4-isoquinolinylidene]methylamino]-4-thiazolyl]acetic acid ethyl ester (CHEBI:109586) is a isoquinolines (CHEBI:24922)
Manual Xref Database
LSM-21014 LINCS
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