CHEBI:122168 - 2-[5-[(2-bromo-4-ethoxy-5-methoxyphenyl)methylidene]-3-methyl-4-oxo-2-sulfanylidene-1-imidazolidinyl]acetic acid methyl ester

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
ChEBI Name 2-[5-[(2-bromo-4-ethoxy-5-methoxyphenyl)methylidene]-3-methyl-4-oxo-2-sulfanylidene-1-imidazolidinyl]acetic acid methyl ester
ChEBI ID CHEBI:122168
Stars This entity has been manually annotated by a third party.
Supplier Information eMolecules:534594
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Formula C17H19BrN2O5S
Net Charge 0
Average Mass 443.313
Monoisotopic Mass 442.01981
InChI InChI=1S/C17H19BrN2O5S/c1-5-25-14-8-11(18)10(7-13(14)23-3)6-12-16(22)19(2)17(26)20(12)9-15(21)24-4/h6-8H,5,9H2,1-4H3
InChIKey SGHIPAGJNXLRIJ-UHFFFAOYSA-N
SMILES CCOC1=C(C=C(C(=C1)Br)C=C2C(=O)N(C(=S)N2CC(=O)OC)C)OC
ChEBI Ontology
Outgoing 2-[5-[(2-bromo-4-ethoxy-5-methoxyphenyl)methylidene]-3-methyl-4-oxo-2-sulfanylidene-1-imidazolidinyl]acetic acid methyl ester (CHEBI:122168) is a α-amino acid ester (CHEBI:46874)
Manual Xref Database
LSM-33611 LINCS
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