S-(1,3-benzoxazol-2-yl) 2-benzo[e][1]benzofuran-1-ylethanethioate

Systemtic Name: S-(1,3-benzoxazol-2-yl) 2-benzo[e][1]benzofuran-1-ylethanethioate Openeye Name: S-(1,3-benzoxazol-2-yl) 2-benzo[e]benzofuran-1-ylethanethioate CAS Name: 2-(1-benzo[e]benzofuranyl)ethanethioic acid S-(1,3-benzoxazol-2-yl) ester IUPAC Name: S-(1,3-benzoxazol-2-yl) 2-benzo[e][1]benzofuran-1-ylethanethioate Traditional Name: 2-benzo[e]benzofuran-1-ylethanethioic acid S-(1,3-benzoxazol-2-yl) ester Formula: C21H13NO3S MolecularWeight: 359.39782

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C=CC3=C2C(=CO3)CC(=O)SC4=NC5=CC=CC=C5O4

Isomeric SMILES

C1=CC=C2C(=C1)C=CC3=C2C(=CO3)CC(=O)SC4=NC5=CC=CC=C5O4

InChI

InChI=1S/C21H13NO3S/c23-19(26-21-22-16-7-3-4-8-17(16)25-21)11-14-12-24-18-10-9-13-5-1-2-6-15(13)20(14)18/h1-10,12H,11H2