ethyl 4-methyl-2-[(1-oxidanidylpyridin-1-ium-2-yl)sulfanylmethyl]quinoline-3-carboxylate

Systemtic Name: ethyl 4-methyl-2-[(1-oxidanidylpyridin-1-ium-2-yl)sulfanylmethyl]quinoline-3-carboxylate Openeye Name: ethyl 4-methyl-2-[(1-oxidopyridin-1-ium-2-yl)sulfanylmethyl]quinoline-3-carboxylate CAS Name: 4-methyl-2-[[(1-oxido-2-pyridin-1-iumyl)thio]methyl]-3-quinolinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-methyl-2-[(1-oxidopyridin-1-ium-2-yl)sulfanylmethyl]quinoline-3-carboxylate Traditional Name: 4-methyl-2-[[(1-oxidopyridin-1-ium-2-yl)thio]methyl]quinoline-3-carboxylic acid ethyl ester Formula: C19H18N2O3S MolecularWeight: 354.42282

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(C2=CC=CC=C2N=C1CSC3=CC=CC=[N+]3[O-])C

Isomeric SMILES

CCOC(=O)C1=C(C2=CC=CC=C2N=C1CSC3=CC=CC=[N+]3[O-])C

InChI

InChI=1S/C19H18N2O3S/c1-3-24-19(22)18-13(2)14-8-4-5-9-15(14)20-16(18)12-25-17-10-6-7-11-21(17)23/h4-11H,3,12H2,1-2H3