2-[(5-chloranyl-2,3-dihydro-1,4-benzodioxin-7-yl)methylsulfanyl]-N-(3,4-dimethoxyphenyl)propanamide

Systemtic Name: 2-[(5-chloranyl-2,3-dihydro-1,4-benzodioxin-7-yl)methylsulfanyl]-N-(3,4-dimethoxyphenyl)propanamide Openeye Name: 2-[(5-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)methylsulfanyl]-N-(3,4-dimethoxyphenyl)propanamide CAS Name: 2-[(5-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)methylthio]-N-(3,4-dimethoxyphenyl)propanamide IUPAC Name: 2-[(5-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)methylsulfanyl]-N-(3,4-dimethoxyphenyl)propanamide Traditional Name: 2-[(5-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)methylthio]-N-(3,4-dimethoxyphenyl)propionamide Formula: C20H22ClNO5S MolecularWeight: 423.91038

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=CC(=C(C=C1)OC)OC)SCC2=CC3=C(C(=C2)Cl)OCCO3

Isomeric SMILES

CC(C(=O)NC1=CC(=C(C=C1)OC)OC)SCC2=CC3=C(C(=C2)Cl)OCCO3

InChI

InChI=1S/C20H22ClNO5S/c1-12(20(23)22-14-4-5-16(24-2)17(10-14)25-3)28-11-13-8-15(21)19-18(9-13)26-6-7-27-19/h4-5,8-10,12H,6-7,11H2,1-3H3,(H,22,23)