CHEBI:114912 - N-[6-acetamido-3-(2-ethoxyethyl)-1,3-benzothiazol-2-ylidene]-3-(2-chlorophenyl)-2-propenamide

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
ChEBI Name N-[6-acetamido-3-(2-ethoxyethyl)-1,3-benzothiazol-2-ylidene]-3-(2-chlorophenyl)-2-propenamide
ChEBI ID CHEBI:114912
Stars This entity has been manually annotated by a third party.
Supplier Information
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Formula C22H22ClN3O3S
Net Charge 0
Average Mass 443.948
Monoisotopic Mass 443.10704
InChI InChI=1S/C22H22ClN3O3S/c1-3-29-13-12-26-19-10-9-17(24-15(2)27)14-20(19)30-22(26)25-21(28)11-8-16-6-4-5-7-18(16)23/h4-11,14H,3,12-13H2,1-2H3,(H,24,27)
InChIKey ZCPCVRZWDGRYBS-UHFFFAOYSA-N
SMILES CCOCCN1C2=C(C=C(C=C2)NC(=O)C)SC1=NC(=O)C=CC3=CC=CC=C3Cl
ChEBI Ontology
Outgoing N-[6-acetamido-3-(2-ethoxyethyl)-1,3-benzothiazol-2-ylidene]-3-(2-chlorophenyl)-2-propenamide (CHEBI:114912) has functional parent cinnamic acid (CHEBI:27386)
N-[6-acetamido-3-(2-ethoxyethyl)-1,3-benzothiazol-2-ylidene]-3-(2-chlorophenyl)-2-propenamide (CHEBI:114912) is a olefinic compound (CHEBI:78840)
Manual Xref Database
LSM-26375 LINCS
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