CHEBI:115490 - 2-[[2-(6-oxo-1-cyclohexa-2,4-dienylidene)-3H-1,3,4-oxadiazol-5-yl]thio]acetic acid (2,6-dimethylphenyl) ester

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
ChEBI Name 2-[[2-(6-oxo-1-cyclohexa-2,4-dienylidene)-3H-1,3,4-oxadiazol-5-yl]thio]acetic acid (2,6-dimethylphenyl) ester
ChEBI ID CHEBI:115490
Stars This entity has been manually annotated by a third party.
Supplier Information
Download Molfile XML SDF
Formula C18H16N2O4S
Net Charge 0
Average Mass 356.397
Monoisotopic Mass 356.08308
InChI InChI=1S/C18H16N2O4S/c1-11-6-5-7-12(2)16(11)23-15(22)10-25-18-20-19-17(24-18)13-8-3-4-9-14(13)21/h3-9,19H,10H2,1-2H3
InChIKey XOZKWYXHOUWHBD-UHFFFAOYSA-N
SMILES CC1=C(C(=CC=C1)C)OC(=O)CSC2=NNC(=C3C=CC=CC3=O)O2
ChEBI Ontology
Outgoing 2-[[2-(6-oxo-1-cyclohexa-2,4-dienylidene)-3H-1,3,4-oxadiazol-5-yl]thio]acetic acid (2,6-dimethylphenyl) ester (CHEBI:115490) is a benzoate ester (CHEBI:36054)
2-[[2-(6-oxo-1-cyclohexa-2,4-dienylidene)-3H-1,3,4-oxadiazol-5-yl]thio]acetic acid (2,6-dimethylphenyl) ester (CHEBI:115490) is a phenols (CHEBI:33853)
Manual Xref Database
LSM-26947 LINCS
View more database links