[2-[[(3R)-1,1-bis(oxidanylidene)thiolan-3-yl]-ethyl-amino]-2-oxidanylidene-ethyl] 6-methyl-2-phenyl-quinoline-4-carboxylate

Systemtic Name: [2-[[(3R)-1,1-bis(oxidanylidene)thiolan-3-yl]-ethyl-amino]-2-oxidanylidene-ethyl] 6-methyl-2-phenyl-quinoline-4-carboxylate Openeye Name: [2-[[(3R)-1,1-dioxothiolan-3-yl]-ethyl-amino]-2-oxo-ethyl] 6-methyl-2-phenyl-quinoline-4-carboxylate CAS Name: 6-methyl-2-phenyl-4-quinolinecarboxylic acid [2-[[(3R)-1,1-dioxo-3-thiolanyl]-ethylamino]-2-oxoethyl] ester IUPAC Name: [2-[[(3R)-1,1-dioxothiolan-3-yl]-ethylamino]-2-oxoethyl] 6-methyl-2-phenylquinoline-4-carboxylate Traditional Name: 6-methyl-2-phenyl-cinchoninic acid [2-[[(3R)-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=CC(=NC3=C2C=C(C=C3)C)C4=CC=CC=C4

Isomeric SMILES

CCN([C@@H]1CCS(=O)(=O)C1)C(=O)COC(=O)C2=CC(=NC3=C2C=C(C=C3)C)C4=CC=CC=C4

InChI

InChI=1S/C25H26N2O5S/c1-3-27(19-11-12-33(30,31)16-19)24(28)15-32-25(29)21-14-23(18-7-5-4-6-8-18)26-22-10-9-17(2)13-20(21)22/h4-10,13-14,19H,3,11-12,15-16H2,1-2H3/t19-/m1/s1