2-[(6-bromanyl-2,3-dihydro-1,4-benzodioxin-7-yl)methylsulfanyl]-N-(3-methoxyphenyl)ethanamide

Systemtic Name: 2-[(6-bromanyl-2,3-dihydro-1,4-benzodioxin-7-yl)methylsulfanyl]-N-(3-methoxyphenyl)ethanamide Openeye Name: 2-[(6-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)methylsulfanyl]-N-(3-methoxyphenyl)acetamide CAS Name: 2-[(6-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)methylthio]-N-(3-methoxyphenyl)acetamide IUPAC Name: 2-[(6-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)methylsulfanyl]-N-(3-methoxyphenyl)acetamide Traditional Name: 2-[(6-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)methylthio]-N-(3-methoxyphenyl)acetamide Formula: C18H18BrNO4S MolecularWeight: 424.30882

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC(=C1)NC(=O)CSCC2=CC3=C(C=C2Br)OCCO3

Isomeric SMILES

COC1=CC=CC(=C1)NC(=O)CSCC2=CC3=C(C=C2Br)OCCO3

InChI

InChI=1S/C18H18BrNO4S/c1-22-14-4-2-3-13(8-14)20-18(21)11-25-10-12-7-16-17(9-15(12)19)24-6-5-23-16/h2-4,7-9H,5-6,10-11H2,1H3,(H,20,21)