2-[2-oxidanyl-3-(4-phenylazanylphenoxy)propyl]sulfanylpropanoate

Systemtic Name: 2-[2-oxidanyl-3-(4-phenylazanylphenoxy)propyl]sulfanylpropanoate Openeye Name: 2-[3-(4-anilinophenoxy)-2-hydroxy-propyl]sulfanylpropanoate CAS Name: 2-[[3-(4-anilinophenoxy)-2-hydroxypropyl]thio]propanoate IUPAC Name: 2-[3-(4-anilinophenoxy)-2-hydroxypropyl]sulfanylpropanoate Traditional Name: 2-[[3-(4-anilinophenoxy)-2-hydroxy-propyl]thio]propionate Formula: C18H20NO4S- MolecularWeight: 346.4207

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)[O-])SCC(COC1=CC=C(C=C1)NC2=CC=CC=C2)O

Isomeric SMILES

CC(C(=O)[O-])SCC(COC1=CC=C(C=C1)NC2=CC=CC=C2)O

InChI

InChI=1S/C18H21NO4S/c1-13(18(21)22)24-12-16(20)11-23-17-9-7-15(8-10-17)19-14-5-3-2-4-6-14/h2-10,13,16,19-20H,11-12H2,1H3,(H,21,22)/p-1