2-[[4,5-bis(4-methylsulfanylphenyl)-1,3-oxazol-2-yl]sulfanyl]propanoic acid

Systemtic Name: 2-[[4,5-bis(4-methylsulfanylphenyl)-1,3-oxazol-2-yl]sulfanyl]propanoic acid Openeye Name: 2-[4,5-bis(4-methylsulfanylphenyl)oxazol-2-yl]sulfanylpropanoic acid CAS Name: 2-[[4,5-bis[4-(methylthio)phenyl]-2-oxazolyl]thio]propanoic acid IUPAC Name: 2-[[4,5-bis(4-methylsulfanylphenyl)-1,3-oxazol-2-yl]sulfanyl]propanoic acid Traditional Name: 2-[[4,5-bis[4-(methylthio)phenyl]oxazol-2-yl]thio]propionic acid Formula: C20H19NO3S3 MolecularWeight: 417.56476

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)O)SC1=NC(=C(O1)C2=CC=C(C=C2)SC)C3=CC=C(C=C3)SC

Isomeric SMILES

CC(C(=O)O)SC1=NC(=C(O1)C2=CC=C(C=C2)SC)C3=CC=C(C=C3)SC

InChI

InChI=1S/C20H19NO3S3/c1-12(19(22)23)27-20-21-17(13-4-8-15(25-2)9-5-13)18(24-20)14-6-10-16(26-3)11-7-14/h4-12H,1-3H3,(H,22,23)