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

Systemtic Name: 3-[[3-[2-(phenylmethylsulfanyl)ethoxy]phenyl]methylamino]propanoic acid Openeye Name: 3-[[3-(2-benzylsulfanylethoxy)phenyl]methylamino]propanoic acid CAS Name: 3-[[3-[2-(phenylmethylthio)ethoxy]phenyl]methylamino]propanoic acid IUPAC Name: 3-[[3-(2-benzylsulfanylethoxy)phenyl]methylamino]propanoic acid Traditional Name: 3-[[3-[2-(benzylthio)ethoxy]benzyl]amino]propionic acid Formula: C19H23NO3S MolecularWeight: 345.45582

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H23NO3S/c21-19(22)9-10-20-14-17-7-4-8-18(13-17)23-11-12-24-15-16-5-2-1-3-6-16/h1-8,13,20H,9-12,14-15H2,(H,21,22)