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

Systemtic Name: 2-ethylsulfanyl-3-[4-(quinolin-3-ylmethoxy)phenyl]propanoic acid Openeye Name: 2-ethylsulfanyl-3-[4-(3-quinolylmethoxy)phenyl]propanoic acid CAS Name: 2-(ethylthio)-3-[4-(3-quinolinylmethoxy)phenyl]propanoic acid IUPAC Name: 2-ethylsulfanyl-3-[4-(quinolin-3-ylmethoxy)phenyl]propanoic acid Traditional Name: 2-(ethylthio)-3-[4-(3-quinolylmethoxy)phenyl]propionic acid Formula: C21H21NO3S MolecularWeight: 367.46134

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Descriptors Computed from Structure

Canonical SMILES:

CCSC(CC1=CC=C(C=C1)OCC2=CC3=CC=CC=C3N=C2)C(=O)O

Isomeric SMILES

CCSC(CC1=CC=C(C=C1)OCC2=CC3=CC=CC=C3N=C2)C(=O)O

InChI

InChI=1S/C21H21NO3S/c1-2-26-20(21(23)24)12-15-7-9-18(10-8-15)25-14-16-11-17-5-3-4-6-19(17)22-13-16/h3-11,13,20H,2,12,14H2,1H3,(H,23,24)