4-oxidanyl-2-quinolin-2-ylsulfanyl-pentanoic acid

Systemtic Name: 4-oxidanyl-2-quinolin-2-ylsulfanyl-pentanoic acid Openeye Name: 4-hydroxy-2-(2-quinolylsulfanyl)pentanoic acid CAS Name: 4-hydroxy-2-(2-quinolinylthio)pentanoic acid IUPAC Name: 4-hydroxy-2-quinolin-2-ylsulfanylpentanoic acid Traditional Name: 4-hydroxy-2-(2-quinolylthio)valeric acid Formula: C14H15NO3S MolecularWeight: 277.3388

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Descriptors Computed from Structure

Canonical SMILES:

CC(CC(C(=O)O)SC1=NC2=CC=CC=C2C=C1)O

Isomeric SMILES

CC(CC(C(=O)O)SC1=NC2=CC=CC=C2C=C1)O

InChI

InChI=1S/C14H15NO3S/c1-9(16)8-12(14(17)18)19-13-7-6-10-4-2-3-5-11(10)15-13/h2-7,9,12,16H,8H2,1H3,(H,17,18)