N-[5-(1,3-benzodioxol-5-ylmethylcarbamoyl)-2-methyl-phenyl]-2,3-dihydro-1,4-oxathiine-6-carboxamide

Systemtic Name: N-[5-(1,3-benzodioxol-5-ylmethylcarbamoyl)-2-methyl-phenyl]-2,3-dihydro-1,4-oxathiine-6-carboxamide Openeye Name: N-[5-(1,3-benzodioxol-5-ylmethylcarbamoyl)-2-methyl-phenyl]-2,3-dihydro-1,4-oxathiine-6-carboxamide CAS Name: N-[5-[(1,3-benzodioxol-5-ylmethylamino)-oxomethyl]-2-methylphenyl]-2,3-dihydro-1,4-oxathiin-6-carboxamide IUPAC Name: N-[5-(1,3-benzodioxol-5-ylmethylcarbamoyl)-2-methylphenyl]-2,3-dihydro-1,4-oxathiine-6-carboxamide Traditional Name: N-[2-methyl-5-(piperonylcarbamoyl)phenyl]-2,3-dihydro-1,4-oxathiin-6-carboxamide Formula: C21H20N2O5S MolecularWeight: 412.4589

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C(=O)NCC2=CC3=C(C=C2)OCO3)NC(=O)C4=CSCCO4

Isomeric SMILES

CC1=C(C=C(C=C1)C(=O)NCC2=CC3=C(C=C2)OCO3)NC(=O)C4=CSCCO4

InChI

InChI=1S/C21H20N2O5S/c1-13-2-4-15(9-16(13)23-21(25)19-11-29-7-6-26-19)20(24)22-10-14-3-5-17-18(8-14)28-12-27-17/h2-5,8-9,11H,6-7,10,12H2,1H3,(H,22,24)(H,23,25)