CHEBI:116627 - 2-[2-[2-[[4-[(3-chlorophenyl)methoxy]-3-methoxyphenyl]methylidene]hydrazinyl]-4-oxo-5-thiazolyl]acetic acid

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
ChEBI Name 2-[2-[2-[[4-[(3-chlorophenyl)methoxy]-3-methoxyphenyl]methylidene]hydrazinyl]-4-oxo-5-thiazolyl]acetic acid
ChEBI ID CHEBI:116627
Stars This entity has been manually annotated by a third party.
Supplier Information
Download Molfile XML SDF
Formula C20H18ClN3O5S
Net Charge 0
Average Mass 447.894
Monoisotopic Mass 447.06557
InChI InChI=1S/C20H18ClN3O5S/c1-28-16-8-12(5-6-15(16)29-11-13-3-2-4-14(21)7-13)10-22-24-20-23-19(27)17(30-20)9-18(25)26/h2-8,10,17H,9,11H2,1H3,(H,25,26)(H,23,24,27)
InChIKey GZWPZEFQPQNJDX-UHFFFAOYSA-N
SMILES COC1=C(C=CC(=C1)C=NNC2=NC(=O)C(S2)CC(=O)O)OCC3=CC(=CC=C3)Cl
ChEBI Ontology
Outgoing 2-[2-[2-[[4-[(3-chlorophenyl)methoxy]-3-methoxyphenyl]methylidene]hydrazinyl]-4-oxo-5-thiazolyl]acetic acid (CHEBI:116627) is a methoxybenzenes (CHEBI:51683)
Manual Xref Database
LSM-28082 LINCS
View more database links