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

Systemtic Name: ethyl 3-[[[1,1-bis(oxidanylidene)thiolan-3-yl]-methyl-amino]methyl]-4-oxidanylidene-1H-quinoline-2-carboxylate Openeye Name: ethyl 3-[[(1,1-dioxothiolan-3-yl)-methyl-amino]methyl]-4-oxo-1H-quinoline-2-carboxylate CAS Name: 3-[[(1,1-dioxo-3-thiolanyl)-methylamino]methyl]-4-oxo-1H-quinoline-2-carboxylic acid ethyl ester IUPAC Name: ethyl 3-[[(1,1-dioxothiolan-3-yl)-methylamino]methyl]-4-oxo-1H-quinoline-2-carboxylate Traditional Name: 3-[[(1,1-diketothiolan-3-yl)-methyl-amino]methyl]-4-keto-1H-quinoline-2-carboxylic acid ethyl ester Formula: C18H22N2O5S MolecularWeight: 378.44268

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(C(=O)C2=CC=CC=C2N1)CN(C)C3CCS(=O)(=O)C3

Isomeric SMILES

CCOC(=O)C1=C(C(=O)C2=CC=CC=C2N1)CN(C)C3CCS(=O)(=O)C3

InChI

InChI=1S/C18H22N2O5S/c1-3-25-18(22)16-14(10-20(2)12-8-9-26(23,24)11-12)17(21)13-6-4-5-7-15(13)19-16/h4-7,12H,3,8-11H2,1-2H3,(H,19,21)