2-[(6-bromanyl-2,3-dihydro-1,4-benzodioxin-7-yl)methylsulfanyl]-N-(5-methyl-1,2-oxazol-3-yl)-2-phenyl-ethanamide

Systemtic Name: 2-[(6-bromanyl-2,3-dihydro-1,4-benzodioxin-7-yl)methylsulfanyl]-N-(5-methyl-1,2-oxazol-3-yl)-2-phenyl-ethanamide Openeye Name: 2-[(6-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)methylsulfanyl]-N-(5-methylisoxazol-3-yl)-2-phenyl-acetamide CAS Name: 2-[(6-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)methylthio]-N-(5-methyl-3-isoxazolyl)-2-phenylacetamide IUPAC Name: 2-[(6-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)methylsulfanyl]-N-(5-methyl-1,2-oxazol-3-yl)-2-phenylacetamide Traditional Name: 2-[(6-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)methylthio]-N-(5-methylisoxazol-3-yl)-2-phenyl-acetamide Formula: C21H19BrN2O4S MolecularWeight: 475.35556

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NO1)NC(=O)C(C2=CC=CC=C2)SCC3=CC4=C(C=C3Br)OCCO4

Isomeric SMILES

CC1=CC(=NO1)NC(=O)C(C2=CC=CC=C2)SCC3=CC4=C(C=C3Br)OCCO4

InChI

InChI=1S/C21H19BrN2O4S/c1-13-9-19(24-28-13)23-21(25)20(14-5-3-2-4-6-14)29-12-15-10-17-18(11-16(15)22)27-8-7-26-17/h2-6,9-11,20H,7-8,12H2,1H3,(H,23,24,25)