(2R)-N-(1,3-benzodioxol-5-ylmethyl)-2-pyridin-2-ylsulfanyl-propanamide

Systemtic Name: (2R)-N-(1,3-benzodioxol-5-ylmethyl)-2-pyridin-2-ylsulfanyl-propanamide Openeye Name: (2R)-N-(1,3-benzodioxol-5-ylmethyl)-2-(2-pyridylsulfanyl)propanamide CAS Name: (2R)-N-(1,3-benzodioxol-5-ylmethyl)-2-(2-pyridinylthio)propanamide IUPAC Name: (2R)-N-(1,3-benzodioxol-5-ylmethyl)-2-pyridin-2-ylsulfanylpropanamide Traditional Name: (2R)-N-piperonyl-2-(2-pyridylthio)propionamide Formula: C16H16N2O3S MolecularWeight: 316.37484

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NCC1=CC2=C(C=C1)OCO2)SC3=CC=CC=N3

Isomeric SMILES

C[C@H](C(=O)NCC1=CC2=C(C=C1)OCO2)SC3=CC=CC=N3

InChI

InChI=1S/C16H16N2O3S/c1-11(22-15-4-2-3-7-17-15)16(19)18-9-12-5-6-13-14(8-12)21-10-20-13/h2-8,11H,9-10H2,1H3,(H,18,19)/t11-/m1/s1