CHEBI:104962 - 4-(1,3-benzothiazol-2-yl)-5-(4-chloro-3-nitrophenyl)-4-pentenoic acid

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
ChEBI Name 4-(1,3-benzothiazol-2-yl)-5-(4-chloro-3-nitrophenyl)-4-pentenoic acid
ChEBI ID CHEBI:104962
Stars This entity has been manually annotated by a third party.
Supplier Information
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Formula C18H13ClN2O4S
Net Charge 0
Average Mass 388.827
Monoisotopic Mass 388.02846
InChI InChI=1S/C18H13ClN2O4S/c19-13-7-5-11(10-15(13)21(24)25)9-12(6-8-17(22)23)18-20-14-3-1-2-4-16(14)26-18/h1-5,7,9-10H,6,8H2,(H,22,23)
InChIKey GHVAFTZKRDDKEC-UHFFFAOYSA-N
SMILES C1=CC=C2C(=C1)N=C(S2)C(=CC3=CC(=C(C=C3)Cl)[N+](=O)[O-])CCC(=O)O
ChEBI Ontology
Outgoing 4-(1,3-benzothiazol-2-yl)-5-(4-chloro-3-nitrophenyl)-4-pentenoic acid (CHEBI:104962) is a benzothiazoles (CHEBI:37947)
Manual Xref Database
LSM-16325 LINCS
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