N-[4-[2-(2,3-dihydro-1,4-benzodioxin-6-ylsulfanyl)propanoyl]phenyl]-2-methyl-propanamide

Systemtic Name: N-[4-[2-(2,3-dihydro-1,4-benzodioxin-6-ylsulfanyl)propanoyl]phenyl]-2-methyl-propanamide Openeye Name: N-[4-[2-(2,3-dihydro-1,4-benzodioxin-6-ylsulfanyl)propanoyl]phenyl]-2-methyl-propanamide CAS Name: N-[4-[2-(2,3-dihydro-1,4-benzodioxin-6-ylthio)-1-oxopropyl]phenyl]-2-methylpropanamide IUPAC Name: N-[4-[2-(2,3-dihydro-1,4-benzodioxin-6-ylsulfanyl)propanoyl]phenyl]-2-methylpropanamide Traditional Name: N-[4-[2-(2,3-dihydro-1,4-benzodioxin-6-ylthio)propanoyl]phenyl]-2-methyl-propionamide Formula: C21H23NO4S MolecularWeight: 385.47662

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(=O)NC1=CC=C(C=C1)C(=O)C(C)SC2=CC3=C(C=C2)OCCO3

Isomeric SMILES

CC(C)C(=O)NC1=CC=C(C=C1)C(=O)C(C)SC2=CC3=C(C=C2)OCCO3

InChI

InChI=1S/C21H23NO4S/c1-13(2)21(24)22-16-6-4-15(5-7-16)20(23)14(3)27-17-8-9-18-19(12-17)26-11-10-25-18/h4-9,12-14H,10-11H2,1-3H3,(H,22,24)