CHEBI:115677 - 3-methylbenzoic acid [1-(4-methyl-2-phenyl-5-thiazolyl)ethylideneamino] ester

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
ChEBI Name 3-methylbenzoic acid [1-(4-methyl-2-phenyl-5-thiazolyl)ethylideneamino] ester
ChEBI ID CHEBI:115677
Stars This entity has been manually annotated by a third party.
Supplier Information
Download Molfile XML SDF
Formula C20H18N2O2S
Net Charge 0
Average Mass 350.436
Monoisotopic Mass 350.10890
InChI InChI=1S/C20H18N2O2S/c1-13-8-7-11-17(12-13)20(23)24-22-15(3)18-14(2)21-19(25-18)16-9-5-4-6-10-16/h4-12H,1-3H3
InChIKey RHBWSRQRWUDTTE-UHFFFAOYSA-N
SMILES CC1=CC=CC(=C1)C(=O)ON=C(C)C2=C(N=C(S2)C3=CC=CC=C3)C
Roles Classification
Chemical Role(s): Bronsted acid
A molecular entity capable of donating a hydron to an acceptor (Bronsted base).
(via oxoacid )
View more via ChEBI Ontology
ChEBI Ontology
Outgoing 3-methylbenzoic acid [1-(4-methyl-2-phenyl-5-thiazolyl)ethylideneamino] ester (CHEBI:115677) is a benzoic acids (CHEBI:22723)
Manual Xref Database
LSM-27134 LINCS
View more database links