[2-[[1,1-bis(oxidanylidene)-2,3-dihydrothiophen-3-yl]-phenyl-amino]-2-oxidanylidene-ethyl] 3-ethyl-2-propyl-quinoline-4-carboxylate

Systemtic Name: [2-[[1,1-bis(oxidanylidene)-2,3-dihydrothiophen-3-yl]-phenyl-amino]-2-oxidanylidene-ethyl] 3-ethyl-2-propyl-quinoline-4-carboxylate Openeye Name: [2-(N-(1,1-dioxo-2,3-dihydrothiophen-3-yl)anilino)-2-oxo-ethyl] 3-ethyl-2-propyl-quinoline-4-carboxylate CAS Name: 3-ethyl-2-propyl-4-quinolinecarboxylic acid [2-(N-(1,1-dioxo-2,3-dihydrothiophen-3-yl)anilino)-2-oxoethyl] ester IUPAC Name: [2-(N-(1,1-dioxo-2,3-dihydrothiophen-3-yl)anilino)-2-oxoethyl] 3-ethyl-2-propylquinoline-4-carboxylate Traditional Name: 3-ethyl-2-propyl-cinchoninic acid [2-(N-(1,1-diketo-2,3-dihydrothiophen-3-yl)anilino)-2-keto-ethyl] ester Formula: C27H28N2O5S MolecularWeight: 492.58662

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=NC2=CC=CC=C2C(=C1CC)C(=O)OCC(=O)N(C3CS(=O)(=O)C=C3)C4=CC=CC=C4

Isomeric SMILES

CCCC1=NC2=CC=CC=C2C(=C1CC)C(=O)OCC(=O)N(C3CS(=O)(=O)C=C3)C4=CC=CC=C4

InChI

InChI=1S/C27H28N2O5S/c1-3-10-23-21(4-2)26(22-13-8-9-14-24(22)28-23)27(31)34-17-25(30)29(19-11-6-5-7-12-19)20-15-16-35(32,33)18-20/h5-9,11-16,20H,3-4,10,17-18H2,1-2H3