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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCN(C1CCS(=O)(=O)C1)C(=O)COC(=O)C2=C(C(=NC3=CC=CC=C32)C4=CC=CC=C4)C

Isomeric SMILES

CCN(C1CCS(=O)(=O)C1)C(=O)COC(=O)C2=C(C(=NC3=CC=CC=C32)C4=CC=CC=C4)C

InChI

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