CHEBI:92722 - 4-[[4-[5-[(3,4-dimethoxyphenyl)methylidene]-4-oxo-2-sulfanylidene-3-thiazolidinyl]-1-oxobutyl]amino]-2-hydroxybenzoic acid

Main

ChEBI Ontology

Automatic Xrefs

Reactions

Pathways

Models

ChEBI Name 4-[[4-[5-[(3,4-dimethoxyphenyl)methylidene]-4-oxo-2-sulfanylidene-3-thiazolidinyl]-1-oxobutyl]amino]-2-hydroxybenzoic acid ChEBI ID CHEBI:92722 Stars This entity has been manually annotated by a third party. Supplier Information Download Molfile XML SDF Find compounds which contain this structure Find compounds which resemble this structure Take structure to the Advanced Search Formula C23H22N2O7S2 Net Charge 0 Average Mass 502.563 Monoisotopic Mass 502.08684 InChI InChI=1S/C23H22N2O7S2/c1-31-17-8-5-13(10-18(17)32-2)11-19-21(28)25(23(33)34-19)9-3-4-20(27)24-14-6-7-15(22(29)30)16(26)12-14/h5-8,10-12,26H,3-4,9H2,1-2H3,(H,24,27)(H,29,30) InChIKey PRAFTWYPDIRGEQ-UHFFFAOYSA-N SMILES COC1=C(C=C(C=C1)C=C2C(=O)N(C(=S)S2)CCCC(=O)NC3=CC(=C(C=C3)C(=O)O)O)OC 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 4-[[4-[5-[(3,4-dimethoxyphenyl)methylidene]-4-oxo-2-sulfanylidene-3-thiazolidinyl]-1-oxobutyl]amino]-2-hydroxybenzoic acid (CHEBI:92722) is a amidobenzoic acid (CHEBI:48470) Manual Xref Database LSM-2909 LINCS View more database links