[2-[[(3S)-1,1-bis(oxidanylidene)thiolan-3-yl]-butyl-amino]-2-oxidanylidene-ethyl] quinoline-5-carboxylate

Systemtic Name: [2-[[(3S)-1,1-bis(oxidanylidene)thiolan-3-yl]-butyl-amino]-2-oxidanylidene-ethyl] quinoline-5-carboxylate Openeye Name: [2-[butyl-[(3S)-1,1-dioxothiolan-3-yl]amino]-2-oxo-ethyl] quinoline-5-carboxylate CAS Name: 5-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] quinoline-5-carboxylate Traditional Name: quinoline-5-carboxylic acid [2-[butyl-[(3S)-1,1-diketothiolan-3-yl]amino]-2-keto-ethyl] ester Formula: C20H24N2O5S MolecularWeight: 404.47996

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN(C1CCS(=O)(=O)C1)C(=O)COC(=O)C2=C3C=CC=NC3=CC=C2

Isomeric SMILES

CCCCN([C@H]1CCS(=O)(=O)C1)C(=O)COC(=O)C2=C3C=CC=NC3=CC=C2

InChI

InChI=1S/C20H24N2O5S/c1-2-3-11-22(15-9-12-28(25,26)14-15)19(23)13-27-20(24)17-6-4-8-18-16(17)7-5-10-21-18/h4-8,10,15H,2-3,9,11-14H2,1H3/t15-/m0/s1