2-[(6-chloranyl-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)methylsulfanyl]-N-(3-cyanophenyl)ethanamide

Systemtic Name: 2-[(6-chloranyl-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)methylsulfanyl]-N-(3-cyanophenyl)ethanamide Openeye Name: 2-[(6-chloro-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)methylsulfanyl]-N-(3-cyanophenyl)acetamide CAS Name: 2-[(6-chloro-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)methylthio]-N-(3-cyanophenyl)acetamide IUPAC Name: 2-[(6-chloro-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)methylsulfanyl]-N-(3-cyanophenyl)acetamide Traditional Name: 2-[(6-chloro-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)methylthio]-N-(3-cyanophenyl)acetamide Formula: C19H17ClN2O3S MolecularWeight: 388.86788

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1COC2=C(C(=CC(=C2)CSCC(=O)NC3=CC=CC(=C3)C#N)Cl)OC1

Isomeric SMILES

C1COC2=C(C(=CC(=C2)CSCC(=O)NC3=CC=CC(=C3)C#N)Cl)OC1

InChI

InChI=1S/C19H17ClN2O3S/c20-16-8-14(9-17-19(16)25-6-2-5-24-17)11-26-12-18(23)22-15-4-1-3-13(7-15)10-21/h1,3-4,7-9H,2,5-6,11-12H2,(H,22,23)