2-[2-(3-chloranylphenoxy)ethylsulfanyl]-N-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)ethanamide

Systemtic Name: 2-[2-(3-chloranylphenoxy)ethylsulfanyl]-N-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)ethanamide Openeye Name: 2-[2-(3-chlorophenoxy)ethylsulfanyl]-N-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)acetamide CAS Name: 2-[2-(3-chlorophenoxy)ethylthio]-N-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)acetamide IUPAC Name: 2-[2-(3-chlorophenoxy)ethylsulfanyl]-N-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)acetamide Traditional Name: 2-[2-(3-chlorophenoxy)ethylthio]-N-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)acetamide Formula: C19H20ClNO4S MolecularWeight: 393.8844

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Descriptors Computed from Structure

Canonical SMILES:

C1COC2=C(C=C(C=C2)NC(=O)CSCCOC3=CC(=CC=C3)Cl)OC1

Isomeric SMILES

C1COC2=C(C=C(C=C2)NC(=O)CSCCOC3=CC(=CC=C3)Cl)OC1

InChI

InChI=1S/C19H20ClNO4S/c20-14-3-1-4-16(11-14)23-9-10-26-13-19(22)21-15-5-6-17-18(12-15)25-8-2-7-24-17/h1,3-6,11-12H,2,7-10,13H2,(H,21,22)