3-[1-(3,4-dimethylphenyl)-5-oxidanylidene-2-sulfanylidene-imidazolidin-4-yl]propanoic acid

Systemtic Name: 3-[1-(3,4-dimethylphenyl)-5-oxidanylidene-2-sulfanylidene-imidazolidin-4-yl]propanoic acid Openeye Name: 3-[1-(3,4-dimethylphenyl)-5-oxo-2-thioxo-imidazolidin-4-yl]propanoic acid CAS Name: 3-[1-(3,4-dimethylphenyl)-5-oxo-2-sulfanylidene-4-imidazolidinyl]propanoic acid IUPAC Name: 3-[1-(3,4-dimethylphenyl)-5-oxo-2-sulfanylideneimidazolidin-4-yl]propanoic acid Traditional Name: 3-[1-(3,4-dimethylphenyl)-5-keto-2-thioxo-imidazolidin-4-yl]propionic acid Formula: C14H16N2O3S MolecularWeight: 292.35344

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)N2C(=O)C(NC2=S)CCC(=O)O)C

Isomeric SMILES

CC1=C(C=C(C=C1)N2C(=O)C(NC2=S)CCC(=O)O)C

InChI

InChI=1S/C14H16N2O3S/c1-8-3-4-10(7-9(8)2)16-13(19)11(15-14(16)20)5-6-12(17)18/h3-4,7,11H,5-6H2,1-2H3,(H,15,20)(H,17,18)