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

Systemtic Name: 3-(5-oxidanylidene-1-phenyl-2-sulfanylidene-imidazolidin-4-yl)propanoic acid Openeye Name: 3-(5-oxo-1-phenyl-2-thioxo-imidazolidin-4-yl)propanoic acid CAS Name: 3-(5-oxo-1-phenyl-2-sulfanylidene-4-imidazolidinyl)propanoic acid IUPAC Name: 3-(5-oxo-1-phenyl-2-sulfanylideneimidazolidin-4-yl)propanoic acid Traditional Name: 3-(5-keto-1-phenyl-2-thioxo-imidazolidin-4-yl)propionic acid Formula: C12H12N2O3S MolecularWeight: 264.30028

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H12N2O3S/c15-10(16)7-6-9-11(17)14(12(18)13-9)8-4-2-1-3-5-8/h1-5,9H,6-7H2,(H,13,18)(H,15,16)