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

Systemtic Name: 2-[[1,1-bis(oxidanylidene)thiolan-3-yl]amino]quinoline-4-carboxylic acid Openeye Name: 2-[(1,1-dioxothiolan-3-yl)amino]quinoline-4-carboxylic acid CAS Name: 2-[(1,1-dioxo-3-thiolanyl)amino]-4-quinolinecarboxylic acid IUPAC Name: 2-[(1,1-dioxothiolan-3-yl)amino]quinoline-4-carboxylic acid Traditional Name: 2-[(1,1-diketothiolan-3-yl)amino]cinchoninic acid Formula: C14H14N2O4S MolecularWeight: 306.33696

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Descriptors Computed from Structure

Canonical SMILES:

C1CS(=O)(=O)CC1NC2=NC3=CC=CC=C3C(=C2)C(=O)O

Isomeric SMILES

C1CS(=O)(=O)CC1NC2=NC3=CC=CC=C3C(=C2)C(=O)O

InChI

InChI=1S/C14H14N2O4S/c17-14(18)11-7-13(15-9-5-6-21(19,20)8-9)16-12-4-2-1-3-10(11)12/h1-4,7,9H,5-6,8H2,(H,15,16)(H,17,18)