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

Systemtic Name: 3-[[4-[2-(phenylmethylsulfanyl)ethoxy]phenyl]methylamino]propanoic acid Openeye Name: 3-[[4-(2-benzylsulfanylethoxy)phenyl]methylamino]propanoic acid CAS Name: 3-[[4-[2-(phenylmethylthio)ethoxy]phenyl]methylamino]propanoic acid IUPAC Name: 3-[[4-(2-benzylsulfanylethoxy)phenyl]methylamino]propanoic acid Traditional Name: 3-[[4-[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=C(C=C2)CNCCC(=O)O

Isomeric SMILES

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

InChI

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