2-[4-[(2-oxidanylidene-3,4-dihydro-1H-quinolin-6-yl)oxy]butylsulfanyl]benzoic acid

Systemtic Name: 2-[4-[(2-oxidanylidene-3,4-dihydro-1H-quinolin-6-yl)oxy]butylsulfanyl]benzoic acid Openeye Name: 2-[4-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)oxy]butylsulfanyl]benzoic acid CAS Name: 2-[4-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)oxy]butylthio]benzoic acid IUPAC Name: 2-[4-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)oxy]butylsulfanyl]benzoic acid Traditional Name: 2-[4-[(2-keto-3,4-dihydro-1H-quinolin-6-yl)oxy]butylthio]benzoic acid Formula: C20H21NO4S MolecularWeight: 371.45004

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(=O)NC2=C1C=C(C=C2)OCCCCSC3=CC=CC=C3C(=O)O

Isomeric SMILES

C1CC(=O)NC2=C1C=C(C=C2)OCCCCSC3=CC=CC=C3C(=O)O

InChI

InChI=1S/C20H21NO4S/c22-19-10-7-14-13-15(8-9-17(14)21-19)25-11-3-4-12-26-18-6-2-1-5-16(18)20(23)24/h1-2,5-6,8-9,13H,3-4,7,10-12H2,(H,21,22)(H,23,24)