Type : Thiophen, Sulfur Compound
Chemical_Nomenclature : 4,5-dihydrobenzo[g][1]benzothiole-2-carboxylic acid
Canonical SMILES : C1CC2=C(C3=CC=CC=C31)SC(=C2)C(=O)O
InChI : InChI=1S\/C13H10O2S\/c14-13(15)11-7-9-6-5-8-3-1-2-4-10(8)12(9)16-11\/h1-4,7H,5-6H2,(H,14,15)
InChIKey : IGBRCZHGFVMFCR-UHFFFAOYSA-N
Other name(s) : 4,5-dihydronaphtho[1,2-b]thiophene-2-carboxylic acid || CHEMBL1421818 || 4H,5H-naphtho[1,2-b]thiophene-2-carboxylic acid || ZINC69806 || fragment_3 || U4T
MW : 230.28
Formula : C13H10O2S
CAS_number : 29179-41-7
PubChem : 695450
UniChem : IGBRCZHGFVMFCR-UHFFFAOYSA-N
Families : 4,5-Dihydronaphtho[1,2-b]thiophene-2-carboxylic-acid ligand of proteins in family
Pectinacetylesterase-Notum
Structure :
7BN8
Protein :
human-NOTUM
No reference