4-oxidanylidene-8-[[4-(4-thiophen-2-ylbutoxy)phenyl]carbonylamino]-1H-quinoline-2-carboxylic acid

Systemtic Name: 4-oxidanylidene-8-[[4-(4-thiophen-2-ylbutoxy)phenyl]carbonylamino]-1H-quinoline-2-carboxylic acid Openeye Name: 4-oxo-8-[[4-[4-(2-thienyl)butoxy]benzoyl]amino]-1H-quinoline-2-carboxylic acid CAS Name: 4-oxo-8-[[oxo-[4-(4-thiophen-2-ylbutoxy)phenyl]methyl]amino]-1H-quinoline-2-carboxylic acid IUPAC Name: 4-oxo-8-[[4-(4-thiophen-2-ylbutoxy)benzoyl]amino]-1H-quinoline-2-carboxylic acid Traditional Name: 4-keto-8-[[4-[4-(2-thienyl)butoxy]benzoyl]amino]-1H-quinoline-2-carboxylic acid Formula: C25H22N2O5S MolecularWeight: 462.51758

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC2=C(C(=C1)NC(=O)C3=CC=C(C=C3)OCCCCC4=CC=CS4)NC(=CC2=O)C(=O)O

Isomeric SMILES

C1=CC2=C(C(=C1)NC(=O)C3=CC=C(C=C3)OCCCCC4=CC=CS4)NC(=CC2=O)C(=O)O

InChI

InChI=1S/C25H22N2O5S/c28-22-15-21(25(30)31)26-23-19(22)7-3-8-20(23)27-24(29)16-9-11-17(12-10-16)32-13-2-1-5-18-6-4-14-33-18/h3-4,6-12,14-15H,1-2,5,13H2,(H,26,28)(H,27,29)(H,30,31)