CHEBI:93279 - 4-[3-[2-(4-cyclobutyl-2-thiazolyl)ethenyl]anilino]-2,2-diethyl-4-oxobutanoic acid

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
ChEBI Name 4-[3-[2-(4-cyclobutyl-2-thiazolyl)ethenyl]anilino]-2,2-diethyl-4-oxobutanoic acid
ChEBI ID CHEBI:93279
Stars This entity has been manually annotated by a third party.
Supplier Information
Download Molfile XML SDF
Formula C23H28N2O3S
Net Charge 0
Average Mass 412.547
Monoisotopic Mass 412.18206
InChI InChI=1S/C23H28N2O3S/c1-3-23(4-2,22(27)28)14-20(26)24-18-10-5-7-16(13-18)11-12-21-25-19(15-29-21)17-8-6-9-17/h5,7,10-13,15,17H,3-4,6,8-9,14H2,1-2H3,(H,24,26)(H,27,28)
InChIKey BZMKNPGKXJAIDV-UHFFFAOYSA-N
SMILES CCC(CC)(CC(=O)NC1=CC=CC(=C1)C=CC2=NC(=CS2)C3CCC3)C(=O)O
ChEBI Ontology
Outgoing 4-[3-[2-(4-cyclobutyl-2-thiazolyl)ethenyl]anilino]-2,2-diethyl-4-oxobutanoic acid (CHEBI:93279) is a anilide (CHEBI:13248)
Manual Xref Database
LSM-3630 LINCS
View more database links