N-[(4S)-3,4-dihydro-2H-chromen-4-yl]-2-(1-oxidanidylpyridin-1-ium-2-yl)sulfanyl-ethanamide

Systemtic Name: N-[(4S)-3,4-dihydro-2H-chromen-4-yl]-2-(1-oxidanidylpyridin-1-ium-2-yl)sulfanyl-ethanamide Openeye Name: N-[(4S)-chroman-4-yl]-2-(1-oxidopyridin-1-ium-2-yl)sulfanyl-acetamide CAS Name: N-[(4S)-3,4-dihydro-2H-1-benzopyran-4-yl]-2-[(1-oxido-2-pyridin-1-iumyl)thio]acetamide IUPAC Name: N-[(4S)-3,4-dihydro-2H-chromen-4-yl]-2-(1-oxidopyridin-1-ium-2-yl)sulfanylacetamide Traditional Name: N-[(4S)-chroman-4-yl]-2-[(1-oxidopyridin-1-ium-2-yl)thio]acetamide Formula: C16H16N2O3S MolecularWeight: 316.37484

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1COC2=CC=CC=C2C1NC(=O)CSC3=CC=CC=[N+]3[O-]

Isomeric SMILES

C1COC2=CC=CC=C2[C@H]1NC(=O)CSC3=CC=CC=[N+]3[O-]

InChI

InChI=1S/C16H16N2O3S/c19-15(11-22-16-7-3-4-9-18(16)20)17-13-8-10-21-14-6-2-1-5-12(13)14/h1-7,9,13H,8,10-11H2,(H,17,19)/t13-/m0/s1