[2-[4-(4-methylphenyl)sulfonyloxyphenyl]-2-oxidanylidene-ethyl] 6-methyl-2-thiophen-2-yl-quinoline-4-carboxylate

Systemtic Name: [2-[4-(4-methylphenyl)sulfonyloxyphenyl]-2-oxidanylidene-ethyl] 6-methyl-2-thiophen-2-yl-quinoline-4-carboxylate Openeye Name: [2-oxo-2-[4-(p-tolylsulfonyloxy)phenyl]ethyl] 6-methyl-2-(2-thienyl)quinoline-4-carboxylate CAS Name: 6-methyl-2-thiophen-2-yl-4-quinolinecarboxylic acid [2-[4-(4-methylphenyl)sulfonyloxyphenyl]-2-oxoethyl] ester IUPAC Name: [2-[4-(4-methylphenyl)sulfonyloxyphenyl]-2-oxoethyl] 6-methyl-2-thiophen-2-ylquinoline-4-carboxylate Traditional Name: 6-methyl-2-(2-thienyl)cinchoninic acid [2-keto-2-(4-tosyloxyphenyl)ethyl] ester Formula: C30H23NO6S2 MolecularWeight: 557.63672

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)OC2=CC=C(C=C2)C(=O)COC(=O)C3=CC(=NC4=C3C=C(C=C4)C)C5=CC=CS5

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)OC2=CC=C(C=C2)C(=O)COC(=O)C3=CC(=NC4=C3C=C(C=C4)C)C5=CC=CS5

InChI

InChI=1S/C30H23NO6S2/c1-19-5-12-23(13-6-19)39(34,35)37-22-10-8-21(9-11-22)28(32)18-36-30(33)25-17-27(29-4-3-15-38-29)31-26-14-7-20(2)16-24(25)26/h3-17H,18H2,1-2H3