3-[3-oxidanylidene-3-[1-(4-phenylazanylphenoxy)propan-2-yloxy]propyl]sulfanylpropanoic acid

Systemtic Name: 3-[3-oxidanylidene-3-[1-(4-phenylazanylphenoxy)propan-2-yloxy]propyl]sulfanylpropanoic acid Openeye Name: 3-[3-[2-(4-anilinophenoxy)-1-methyl-ethoxy]-3-oxo-propyl]sulfanylpropanoic acid CAS Name: 3-[[3-[1-(4-anilinophenoxy)propan-2-yloxy]-3-oxopropyl]thio]propanoic acid IUPAC Name: 3-[3-[1-(4-anilinophenoxy)propan-2-yloxy]-3-oxopropyl]sulfanylpropanoic acid Traditional Name: 3-[[3-[2-(4-anilinophenoxy)-1-methyl-ethoxy]-3-keto-propyl]thio]propionic acid Formula: C21H25NO5S MolecularWeight: 403.4919

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Descriptors Computed from Structure

Canonical SMILES:

CC(COC1=CC=C(C=C1)NC2=CC=CC=C2)OC(=O)CCSCCC(=O)O

Isomeric SMILES

CC(COC1=CC=C(C=C1)NC2=CC=CC=C2)OC(=O)CCSCCC(=O)O

InChI

InChI=1S/C21H25NO5S/c1-16(27-21(25)12-14-28-13-11-20(23)24)15-26-19-9-7-18(8-10-19)22-17-5-3-2-4-6-17/h2-10,16,22H,11-15H2,1H3,(H,23,24)