1-benzothiophen-6-yl 3-pyridin-3-ylbenzoate

Systemtic Name: 1-benzothiophen-6-yl 3-pyridin-3-ylbenzoate Openeye Name: benzothiophen-6-yl 3-(3-pyridyl)benzoate CAS Name: 3-(3-pyridinyl)benzoic acid 1-benzothiophen-6-yl ester IUPAC Name: 1-benzothiophen-6-yl 3-pyridin-3-ylbenzoate Traditional Name: 3-(3-pyridyl)benzoic acid benzothiophen-6-yl ester Formula: C20H13NO2S MolecularWeight: 331.38772

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC(=C1)C(=O)OC2=CC3=C(C=C2)C=CS3)C4=CN=CC=C4

Isomeric SMILES

C1=CC(=CC(=C1)C(=O)OC2=CC3=C(C=C2)C=CS3)C4=CN=CC=C4

InChI

InChI=1S/C20H13NO2S/c22-20(23-18-7-6-14-8-10-24-19(14)12-18)16-4-1-3-15(11-16)17-5-2-9-21-13-17/h1-13H