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

Systemtic Name: [2-[[1,1-bis(oxidanylidene)thiolan-3-yl]-phenyl-amino]-2-oxidanylidene-ethyl] 2-ethyl-3-methyl-quinoline-4-carboxylate Openeye Name: [2-(N-(1,1-dioxothiolan-3-yl)anilino)-2-oxo-ethyl] 2-ethyl-3-methyl-quinoline-4-carboxylate CAS Name: 2-ethyl-3-methyl-4-quinolinecarboxylic acid [2-(N-(1,1-dioxo-3-thiolanyl)anilino)-2-oxoethyl] ester IUPAC Name: [2-(N-(1,1-dioxothiolan-3-yl)anilino)-2-oxoethyl] 2-ethyl-3-methylquinoline-4-carboxylate Traditional Name: 2-ethyl-3-methyl-cinchoninic acid [2-(N-(1,1-diketothiolan-3-yl)anilino)-2-keto-ethyl] ester Formula: C25H26N2O5S MolecularWeight: 466.54934

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=NC2=CC=CC=C2C(=C1C)C(=O)OCC(=O)N(C3CCS(=O)(=O)C3)C4=CC=CC=C4

Isomeric SMILES

CCC1=NC2=CC=CC=C2C(=C1C)C(=O)OCC(=O)N(C3CCS(=O)(=O)C3)C4=CC=CC=C4

InChI

InChI=1S/C25H26N2O5S/c1-3-21-17(2)24(20-11-7-8-12-22(20)26-21)25(29)32-15-23(28)27(18-9-5-4-6-10-18)19-13-14-33(30,31)16-19/h4-12,19H,3,13-16H2,1-2H3