3-[3-[4-(4-cyanophenyl)-2-methylsulfanyl-phenyl]-2-oxidanylidene-imidazolidin-1-yl]propanoic acid

Systemtic Name: 3-[3-[4-(4-cyanophenyl)-2-methylsulfanyl-phenyl]-2-oxidanylidene-imidazolidin-1-yl]propanoic acid Openeye Name: 3-[3-[4-(4-cyanophenyl)-2-methylsulfanyl-phenyl]-2-oxo-imidazolidin-1-yl]propanoic acid CAS Name: 3-[3-[4-(4-cyanophenyl)-2-(methylthio)phenyl]-2-oxo-1-imidazolidinyl]propanoic acid IUPAC Name: 3-[3-[4-(4-cyanophenyl)-2-methylsulfanylphenyl]-2-oxoimidazolidin-1-yl]propanoic acid Traditional Name: 3-[3-[4-(4-cyanophenyl)-2-(methylthio)phenyl]-2-keto-imidazolidin-1-yl]propionic acid Formula: C20H19N3O3S MolecularWeight: 381.44816

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=C(C=CC(=C1)C2=CC=C(C=C2)C#N)N3CCN(C3=O)CCC(=O)O

Isomeric SMILES

CSC1=C(C=CC(=C1)C2=CC=C(C=C2)C#N)N3CCN(C3=O)CCC(=O)O

InChI

InChI=1S/C20H19N3O3S/c1-27-18-12-16(15-4-2-14(13-21)3-5-15)6-7-17(18)23-11-10-22(20(23)26)9-8-19(24)25/h2-7,12H,8-11H2,1H3,(H,24,25)