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

Systemtic Name: [2-[[(3S)-1,1-bis(oxidanylidene)thiolan-3-yl]-butyl-amino]-2-oxidanylidene-ethyl] 3-methyl-2-phenyl-quinoline-4-carboxylate Openeye Name: [2-[butyl-[(3S)-1,1-dioxothiolan-3-yl]amino]-2-oxo-ethyl] 3-methyl-2-phenyl-quinoline-4-carboxylate CAS Name: 3-methyl-2-phenyl-4-quinolinecarboxylic acid [2-[butyl-[(3S)-1,1-dioxo-3-thiolanyl]amino]-2-oxoethyl] ester IUPAC Name: [2-[butyl-[(3S)-1,1-dioxothiolan-3-yl]amino]-2-oxoethyl] 3-methyl-2-phenylquinoline-4-carboxylate Traditional Name: 3-methyl-2-phenyl-cinchoninic acid [2-[butyl-[(3S)-1,1-diketothiolan-3-yl]amino]-2-keto-ethyl] ester Formula: C27H30N2O5S MolecularWeight: 494.6025

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

CCCCN([C@H]1CCS(=O)(=O)C1)C(=O)COC(=O)C2=C(C(=NC3=CC=CC=C32)C4=CC=CC=C4)C

InChI

InChI=1S/C27H30N2O5S/c1-3-4-15-29(21-14-16-35(32,33)18-21)24(30)17-34-27(31)25-19(2)26(20-10-6-5-7-11-20)28-23-13-9-8-12-22(23)25/h5-13,21H,3-4,14-18H2,1-2H3/t21-/m0/s1