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

Systemtic Name: 2-[(5-chloranyl-2,3-dihydro-1,4-benzodioxin-7-yl)methylsulfanyl]-N-(3-fluoranyl-4-methyl-phenyl)ethanamide Openeye Name: 2-[(5-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)methylsulfanyl]-N-(3-fluoro-4-methyl-phenyl)acetamide CAS Name: 2-[(5-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)methylthio]-N-(3-fluoro-4-methylphenyl)acetamide IUPAC Name: 2-[(5-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)methylsulfanyl]-N-(3-fluoro-4-methylphenyl)acetamide Traditional Name: 2-[(5-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)methylthio]-N-(3-fluoro-4-methyl-phenyl)acetamide Formula: C18H17ClFNO3S MolecularWeight: 381.848883

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)NC(=O)CSCC2=CC3=C(C(=C2)Cl)OCCO3)F

Isomeric SMILES

CC1=C(C=C(C=C1)NC(=O)CSCC2=CC3=C(C(=C2)Cl)OCCO3)F

InChI

InChI=1S/C18H17ClFNO3S/c1-11-2-3-13(8-15(11)20)21-17(22)10-25-9-12-6-14(19)18-16(7-12)23-4-5-24-18/h2-3,6-8H,4-5,9-10H2,1H3,(H,21,22)