3-[3-[4-[2-(phenylmethylsulfanyl)ethoxy]phenyl]propylamino]propanoic acid

Systemtic Name: 3-[3-[4-[2-(phenylmethylsulfanyl)ethoxy]phenyl]propylamino]propanoic acid Openeye Name: 3-[3-[4-(2-benzylsulfanylethoxy)phenyl]propylamino]propanoic acid CAS Name: 3-[3-[4-[2-(phenylmethylthio)ethoxy]phenyl]propylamino]propanoic acid IUPAC Name: 3-[3-[4-(2-benzylsulfanylethoxy)phenyl]propylamino]propanoic acid Traditional Name: 3-[3-[4-[2-(benzylthio)ethoxy]phenyl]propylamino]propionic acid Formula: C21H27NO3S MolecularWeight: 373.50898

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CSCCOC2=CC=C(C=C2)CCCNCCC(=O)O

Isomeric SMILES

C1=CC=C(C=C1)CSCCOC2=CC=C(C=C2)CCCNCCC(=O)O

InChI

InChI=1S/C21H27NO3S/c23-21(24)12-14-22-13-4-7-18-8-10-20(11-9-18)25-15-16-26-17-19-5-2-1-3-6-19/h1-3,5-6,8-11,22H,4,7,12-17H2,(H,23,24)