2-[2-[2-(3-chlorophenyl)sulfanylphenoxy]ethyl-methyl-amino]propanoic acid

Systemtic Name: 2-[2-[2-(3-chlorophenyl)sulfanylphenoxy]ethyl-methyl-amino]propanoic acid Openeye Name: 2-[2-[2-(3-chlorophenyl)sulfanylphenoxy]ethyl-methyl-amino]propanoic acid CAS Name: 2-[2-[2-[(3-chlorophenyl)thio]phenoxy]ethyl-methylamino]propanoic acid IUPAC Name: 2-[2-[2-(3-chlorophenyl)sulfanylphenoxy]ethyl-methylamino]propanoic acid Traditional Name: 2-[2-[2-[(3-chlorophenyl)thio]phenoxy]ethyl-methyl-amino]propionic acid Formula: C18H20ClNO3S MolecularWeight: 365.8743

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)O)N(C)CCOC1=CC=CC=C1SC2=CC(=CC=C2)Cl

Isomeric SMILES

CC(C(=O)O)N(C)CCOC1=CC=CC=C1SC2=CC(=CC=C2)Cl

InChI

InChI=1S/C18H20ClNO3S/c1-13(18(21)22)20(2)10-11-23-16-8-3-4-9-17(16)24-15-7-5-6-14(19)12-15/h3-9,12-13H,10-11H2,1-2H3,(H,21,22)