4-[[1,1-bis(oxidanylidene)thiolan-3-yl]-methyl-amino]-2-methyl-quinoline-6-carboxylic acid

Systemtic Name: 4-[[1,1-bis(oxidanylidene)thiolan-3-yl]-methyl-amino]-2-methyl-quinoline-6-carboxylic acid Openeye Name: 4-[(1,1-dioxothiolan-3-yl)-methyl-amino]-2-methyl-quinoline-6-carboxylic acid CAS Name: 4-[(1,1-dioxo-3-thiolanyl)-methylamino]-2-methyl-6-quinolinecarboxylic acid IUPAC Name: 4-[(1,1-dioxothiolan-3-yl)-methylamino]-2-methylquinoline-6-carboxylic acid Traditional Name: 4-[(1,1-diketothiolan-3-yl)-methyl-amino]-2-methyl-quinoline-6-carboxylic acid Formula: C16H18N2O4S MolecularWeight: 334.39012

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC2=C(C=C(C=C2)C(=O)O)C(=C1)N(C)C3CCS(=O)(=O)C3

Isomeric SMILES

CC1=NC2=C(C=C(C=C2)C(=O)O)C(=C1)N(C)C3CCS(=O)(=O)C3

InChI

InChI=1S/C16H18N2O4S/c1-10-7-15(18(2)12-5-6-23(21,22)9-12)13-8-11(16(19)20)3-4-14(13)17-10/h3-4,7-8,12H,5-6,9H2,1-2H3,(H,19,20)