3-[[4-[2-(2-hydroxyethyloxy)ethyl]-3-oxidanylidene-piperazin-1-yl]methyl]-2-thiophen-2-yl-quinoline-4-carboxylic acid

Systemtic Name: 3-[[4-[2-(2-hydroxyethyloxy)ethyl]-3-oxidanylidene-piperazin-1-yl]methyl]-2-thiophen-2-yl-quinoline-4-carboxylic acid Openeye Name: 3-[[4-[2-(2-hydroxyethoxy)ethyl]-3-oxo-piperazin-1-yl]methyl]-2-(2-thienyl)quinoline-4-carboxylic acid CAS Name: 3-[[4-[2-(2-hydroxyethoxy)ethyl]-3-oxo-1-piperazinyl]methyl]-2-thiophen-2-yl-4-quinolinecarboxylic acid IUPAC Name: 3-[[4-[2-(2-hydroxyethoxy)ethyl]-3-oxopiperazin-1-yl]methyl]-2-thiophen-2-ylquinoline-4-carboxylic acid Traditional Name: 3-[[4-[2-(2-hydroxyethoxy)ethyl]-3-keto-piperazino]methyl]-2-(2-thienyl)cinchoninic acid Formula: C23H25N3O5S MolecularWeight: 455.5267

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(C(=O)CN1CC2=C(C3=CC=CC=C3N=C2C4=CC=CS4)C(=O)O)CCOCCO

Isomeric SMILES

C1CN(C(=O)CN1CC2=C(C3=CC=CC=C3N=C2C4=CC=CS4)C(=O)O)CCOCCO

InChI

InChI=1S/C23H25N3O5S/c27-10-12-31-11-9-26-8-7-25(15-20(26)28)14-17-21(23(29)30)16-4-1-2-5-18(16)24-22(17)19-6-3-13-32-19/h1-6,13,27H,7-12,14-15H2,(H,29,30)