3-(4-methyl-5-oxidanylidene-1-phenyl-2-sulfanylidene-imidazolidin-4-yl)propanoic acid

Systemtic Name: 3-(4-methyl-5-oxidanylidene-1-phenyl-2-sulfanylidene-imidazolidin-4-yl)propanoic acid Openeye Name: 3-(4-methyl-5-oxo-1-phenyl-2-thioxo-imidazolidin-4-yl)propanoic acid CAS Name: 3-(4-methyl-5-oxo-1-phenyl-2-sulfanylidene-4-imidazolidinyl)propanoic acid IUPAC Name: 3-(4-methyl-5-oxo-1-phenyl-2-sulfanylideneimidazolidin-4-yl)propanoic acid Traditional Name: 3-(5-keto-4-methyl-1-phenyl-2-thioxo-imidazolidin-4-yl)propionic acid Formula: C13H14N2O3S MolecularWeight: 278.32686

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Descriptors Computed from Structure

Canonical SMILES:

CC1(C(=O)N(C(=S)N1)C2=CC=CC=C2)CCC(=O)O

Isomeric SMILES

CC1(C(=O)N(C(=S)N1)C2=CC=CC=C2)CCC(=O)O

InChI

InChI=1S/C13H14N2O3S/c1-13(8-7-10(16)17)11(18)15(12(19)14-13)9-5-3-2-4-6-9/h2-6H,7-8H2,1H3,(H,14,19)(H,16,17)