3-[[4-(quinolin-2-ylmethoxy)phenyl]methylsulfanyl]propanoic acid

Systemtic Name: 3-[[4-(quinolin-2-ylmethoxy)phenyl]methylsulfanyl]propanoic acid Openeye Name: 3-[[4-(2-quinolylmethoxy)phenyl]methylsulfanyl]propanoic acid CAS Name: 3-[[4-(2-quinolinylmethoxy)phenyl]methylthio]propanoic acid IUPAC Name: 3-[[4-(quinolin-2-ylmethoxy)phenyl]methylsulfanyl]propanoic acid Traditional Name: 3-[[4-(2-quinolylmethoxy)benzyl]thio]propionic acid Formula: C20H19NO3S MolecularWeight: 353.43476

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C=CC(=N2)COC3=CC=C(C=C3)CSCCC(=O)O

Isomeric SMILES

C1=CC=C2C(=C1)C=CC(=N2)COC3=CC=C(C=C3)CSCCC(=O)O

InChI

InChI=1S/C20H19NO3S/c22-20(23)11-12-25-14-15-5-9-18(10-6-15)24-13-17-8-7-16-3-1-2-4-19(16)21-17/h1-10H,11-14H2,(H,22,23)