2-[(5-chloranyl-2-methoxy-phenyl)methylsulfanyl]-N-(2,3-dihydro-1,4-benzodioxin-6-yl)propanamide

Systemtic Name: 2-[(5-chloranyl-2-methoxy-phenyl)methylsulfanyl]-N-(2,3-dihydro-1,4-benzodioxin-6-yl)propanamide Openeye Name: 2-[(5-chloro-2-methoxy-phenyl)methylsulfanyl]-N-(2,3-dihydro-1,4-benzodioxin-6-yl)propanamide CAS Name: 2-[(5-chloro-2-methoxyphenyl)methylthio]-N-(2,3-dihydro-1,4-benzodioxin-6-yl)propanamide IUPAC Name: 2-[(5-chloro-2-methoxyphenyl)methylsulfanyl]-N-(2,3-dihydro-1,4-benzodioxin-6-yl)propanamide Traditional Name: 2-[(5-chloro-2-methoxy-benzyl)thio]-N-(2,3-dihydro-1,4-benzodioxin-6-yl)propionamide Formula: C19H20ClNO4S MolecularWeight: 393.8844

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=CC2=C(C=C1)OCCO2)SCC3=C(C=CC(=C3)Cl)OC

Isomeric SMILES

CC(C(=O)NC1=CC2=C(C=C1)OCCO2)SCC3=C(C=CC(=C3)Cl)OC

InChI

InChI=1S/C19H20ClNO4S/c1-12(26-11-13-9-14(20)3-5-16(13)23-2)19(22)21-15-4-6-17-18(10-15)25-8-7-24-17/h3-6,9-10,12H,7-8,11H2,1-2H3,(H,21,22)