(2S)-1-[1-(furan-2-ylmethyl)-2,5-dimethyl-pyrrol-3-yl]-2-(1-oxidanidylpyridin-1-ium-2-yl)sulfanyl-propan-1-one

Systemtic Name: (2S)-1-[1-(furan-2-ylmethyl)-2,5-dimethyl-pyrrol-3-yl]-2-(1-oxidanidylpyridin-1-ium-2-yl)sulfanyl-propan-1-one Openeye Name: (2S)-1-[1-(2-furylmethyl)-2,5-dimethyl-pyrrol-3-yl]-2-(1-oxidopyridin-1-ium-2-yl)sulfanyl-propan-1-one CAS Name: (2S)-1-[1-(2-furanylmethyl)-2,5-dimethyl-3-pyrrolyl]-2-[(1-oxido-2-pyridin-1-iumyl)thio]-1-propanone IUPAC Name: (2S)-1-[1-(furan-2-ylmethyl)-2,5-dimethylpyrrol-3-yl]-2-(1-oxidopyridin-1-ium-2-yl)sulfanylpropan-1-one Traditional Name: (2S)-1-[1-(2-furfuryl)-2,5-dimethyl-pyrrol-3-yl]-2-[(1-oxidopyridin-1-ium-2-yl)thio]propan-1-one Formula: C19H20N2O3S MolecularWeight: 356.4387

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(N1CC2=CC=CO2)C)C(=O)C(C)SC3=CC=CC=[N+]3[O-]

Isomeric SMILES

CC1=CC(=C(N1CC2=CC=CO2)C)C(=O)[C@H](C)SC3=CC=CC=[N+]3[O-]

InChI

InChI=1S/C19H20N2O3S/c1-13-11-17(14(2)20(13)12-16-7-6-10-24-16)19(22)15(3)25-18-8-4-5-9-21(18)23/h4-11,15H,12H2,1-3H3/t15-/m0/s1