6-fluoranyl-7-[4-[2-(5-methylsulfanylthiophen-2-yl)-2-oxidanylidene-ethyl]piperazin-1-yl]-4-oxidanylidene-1H-quinoline-3-carboxylic acid

Systemtic Name: 6-fluoranyl-7-[4-[2-(5-methylsulfanylthiophen-2-yl)-2-oxidanylidene-ethyl]piperazin-1-yl]-4-oxidanylidene-1H-quinoline-3-carboxylic acid Openeye Name: 6-fluoro-7-[4-[2-(5-methylsulfanyl-2-thienyl)-2-oxo-ethyl]piperazin-1-yl]-4-oxo-1H-quinoline-3-carboxylic acid CAS Name: 6-fluoro-7-[4-[2-[5-(methylthio)-2-thiophenyl]-2-oxoethyl]-1-piperazinyl]-4-oxo-1H-quinoline-3-carboxylic acid IUPAC Name: 6-fluoro-7-[4-[2-(5-methylsulfanylthiophen-2-yl)-2-oxoethyl]piperazin-1-yl]-4-oxo-1H-quinoline-3-carboxylic acid Traditional Name: 6-fluoro-4-keto-7-[4-[2-keto-2-[5-(methylthio)-2-thienyl]ethyl]piperazino]-1H-quinoline-3-carboxylic acid Formula: C21H20FN3O4S2 MolecularWeight: 461.529603

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=CC=C(S1)C(=O)CN2CCN(CC2)C3=C(C=C4C(=C3)NC=C(C4=O)C(=O)O)F

Isomeric SMILES

CSC1=CC=C(S1)C(=O)CN2CCN(CC2)C3=C(C=C4C(=C3)NC=C(C4=O)C(=O)O)F

InChI

InChI=1S/C21H20FN3O4S2/c1-30-19-3-2-18(31-19)17(26)11-24-4-6-25(7-5-24)16-9-15-12(8-14(16)22)20(27)13(10-23-15)21(28)29/h2-3,8-10H,4-7,11H2,1H3,(H,23,27)(H,28,29)