3-[[[1,1-bis(oxidanylidene)thiolan-3-yl]-methyl-amino]methyl]-2-methyl-4-oxidanylidene-1H-quinoline-8-carboxylic acid

Systemtic Name: 3-[[[1,1-bis(oxidanylidene)thiolan-3-yl]-methyl-amino]methyl]-2-methyl-4-oxidanylidene-1H-quinoline-8-carboxylic acid Openeye Name: 3-[[(1,1-dioxothiolan-3-yl)-methyl-amino]methyl]-2-methyl-4-oxo-1H-quinoline-8-carboxylic acid CAS Name: 3-[[(1,1-dioxo-3-thiolanyl)-methylamino]methyl]-2-methyl-4-oxo-1H-quinoline-8-carboxylic acid IUPAC Name: 3-[[(1,1-dioxothiolan-3-yl)-methylamino]methyl]-2-methyl-4-oxo-1H-quinoline-8-carboxylic acid Traditional Name: 3-[[(1,1-diketothiolan-3-yl)-methyl-amino]methyl]-4-keto-2-methyl-1H-quinoline-8-carboxylic acid Formula: C17H20N2O5S MolecularWeight: 364.4161

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=O)C2=C(N1)C(=CC=C2)C(=O)O)CN(C)C3CCS(=O)(=O)C3

Isomeric SMILES

CC1=C(C(=O)C2=C(N1)C(=CC=C2)C(=O)O)CN(C)C3CCS(=O)(=O)C3

InChI

InChI=1S/C17H20N2O5S/c1-10-14(8-19(2)11-6-7-25(23,24)9-11)16(20)12-4-3-5-13(17(21)22)15(12)18-10/h3-5,11H,6-9H2,1-2H3,(H,18,20)(H,21,22)