2-[1,1-bis(oxidanylidene)-2-(5-quinolin-3-ylthiophen-2-yl)thian-2-yl]ethanoic acid

Systemtic Name: 2-[1,1-bis(oxidanylidene)-2-(5-quinolin-3-ylthiophen-2-yl)thian-2-yl]ethanoic acid Openeye Name: 2-[1,1-dioxo-2-[5-(3-quinolyl)-2-thienyl]thian-2-yl]acetic acid CAS Name: 2-[1,1-dioxo-2-[5-(3-quinolinyl)-2-thiophenyl]-2-thianyl]acetic acid IUPAC Name: 2-[1,1-dioxo-2-(5-quinolin-3-ylthiophen-2-yl)thian-2-yl]acetic acid Traditional Name: 2-[1,1-diketo-2-[5-(3-quinolyl)-2-thienyl]thian-2-yl]acetic acid Formula: C20H19NO4S2 MolecularWeight: 401.49916

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Descriptors Computed from Structure

Canonical SMILES:

C1CCS(=O)(=O)C(C1)(CC(=O)O)C2=CC=C(S2)C3=CC4=CC=CC=C4N=C3

Isomeric SMILES

C1CCS(=O)(=O)C(C1)(CC(=O)O)C2=CC=C(S2)C3=CC4=CC=CC=C4N=C3

InChI

InChI=1S/C20H19NO4S2/c22-19(23)12-20(9-3-4-10-27(20,24)25)18-8-7-17(26-18)15-11-14-5-1-2-6-16(14)21-13-15/h1-2,5-8,11,13H,3-4,9-10,12H2,(H,22,23)