4-[5-(1-benzothiophen-2-yl)-1,2-oxazol-3-yl]benzoic acid

Systemtic Name: 4-[5-(1-benzothiophen-2-yl)-1,2-oxazol-3-yl]benzoic acid Openeye Name: 4-[5-(benzothiophen-2-yl)isoxazol-3-yl]benzoic acid CAS Name: 4-[5-(1-benzothiophen-2-yl)-3-isoxazolyl]benzoic acid IUPAC Name: 4-[5-(1-benzothiophen-2-yl)-1,2-oxazol-3-yl]benzoic acid Traditional Name: 4-[5-(benzothiophen-2-yl)isoxazol-3-yl]benzoic acid Formula: C18H11NO3S MolecularWeight: 321.34984

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C=C(S2)C3=CC(=NO3)C4=CC=C(C=C4)C(=O)O

Isomeric SMILES

C1=CC=C2C(=C1)C=C(S2)C3=CC(=NO3)C4=CC=C(C=C4)C(=O)O

InChI

InChI=1S/C18H11NO3S/c20-18(21)12-7-5-11(6-8-12)14-10-15(22-19-14)17-9-13-3-1-2-4-16(13)23-17/h1-10H,(H,20,21)