3-[2-[[3-(2-thiophen-2-ylethynyl)phenyl]amino]ethyl]-1,3-benzoxazol-2-one

Systemtic Name: 3-[2-[[3-(2-thiophen-2-ylethynyl)phenyl]amino]ethyl]-1,3-benzoxazol-2-one Openeye Name: 3-[2-[3-[2-(2-thienyl)ethynyl]anilino]ethyl]-1,3-benzoxazol-2-one CAS Name: 3-[2-[3-(2-thiophen-2-ylethynyl)anilino]ethyl]-1,3-benzoxazol-2-one IUPAC Name: 3-[2-[3-(2-thiophen-2-ylethynyl)anilino]ethyl]-1,3-benzoxazol-2-one Traditional Name: 3-[2-[3-[2-(2-thienyl)ethynyl]anilino]ethyl]-1,3-benzoxazol-2-one Formula: C21H16N2O2S MolecularWeight: 360.42894

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)N(C(=O)O2)CCNC3=CC=CC(=C3)C#CC4=CC=CS4

Isomeric SMILES

C1=CC=C2C(=C1)N(C(=O)O2)CCNC3=CC=CC(=C3)C#CC4=CC=CS4

InChI

InChI=1S/C21H16N2O2S/c24-21-23(19-8-1-2-9-20(19)25-21)13-12-22-17-6-3-5-16(15-17)10-11-18-7-4-14-26-18/h1-9,14-15,22H,12-13H2