CHEBI:105540 - 4-acetamidobenzenesulfonic acid [3-[(2-amino-4-oxo-5-thiazolylidene)methyl]phenyl] ester

Main

ChEBI Ontology

Automatic Xrefs

Reactions

Pathways

Models

ChEBI Name 4-acetamidobenzenesulfonic acid [3-[(2-amino-4-oxo-5-thiazolylidene)methyl]phenyl] ester ChEBI ID CHEBI:105540 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 C18H15N3O5S2 Net Charge 0 Average Mass 417.462 Monoisotopic Mass 417.04531 InChI InChI=1S/C18H15N3O5S2/c1-11(22)20-13-5-7-15(8-6-13)28(24,25)26-14-4-2-3-12(9-14)10-16-17(23)21-18(19)27-16/h2-10H,1H3,(H,20,22)(H2,19,21,23) InChIKey CBGPOSOHJIBVPX-UHFFFAOYSA-N SMILES CC(=O)NC1=CC=C(C=C1)S(=O)(=O)OC2=CC=CC(=C2)C=C3C(=O)N=C(S3)N ChEBI Ontology Outgoing 4-acetamidobenzenesulfonic acid [3-[(2-amino-4-oxo-5-thiazolylidene)methyl]phenyl] ester (CHEBI:105540) is a benzenesulfonate ester (CHEBI:83352) Manual Xref Database LSM-16903 LINCS View more database links