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

Systemtic Name: ethyl 2-[(1-oxidanidylpyridin-1-ium-2-yl)sulfanylmethyl]-4-phenyl-quinoline-3-carboxylate Openeye Name: ethyl 2-[(1-oxidopyridin-1-ium-2-yl)sulfanylmethyl]-4-phenyl-quinoline-3-carboxylate CAS Name: 2-[[(1-oxido-2-pyridin-1-iumyl)thio]methyl]-4-phenyl-3-quinolinecarboxylic acid ethyl ester IUPAC Name: ethyl 2-[(1-oxidopyridin-1-ium-2-yl)sulfanylmethyl]-4-phenylquinoline-3-carboxylate Traditional Name: 2-[[(1-oxidopyridin-1-ium-2-yl)thio]methyl]-4-phenyl-quinoline-3-carboxylic acid ethyl ester Formula: C24H20N2O3S MolecularWeight: 416.4922

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(C2=CC=CC=C2N=C1CSC3=CC=CC=[N+]3[O-])C4=CC=CC=C4

Isomeric SMILES

CCOC(=O)C1=C(C2=CC=CC=C2N=C1CSC3=CC=CC=[N+]3[O-])C4=CC=CC=C4

InChI

InChI=1S/C24H20N2O3S/c1-2-29-24(27)23-20(16-30-21-14-8-9-15-26(21)28)25-19-13-7-6-12-18(19)22(23)17-10-4-3-5-11-17/h3-15H,2,16H2,1H3