2-[1-(4-methylphenyl)-5-oxidanylidene-2-sulfanylidene-imidazolidin-4-yl]ethanoic acid hydrate

Systemtic Name: 2-[1-(4-methylphenyl)-5-oxidanylidene-2-sulfanylidene-imidazolidin-4-yl]ethanoic acid hydrate Openeye Name: 2-[5-oxo-1-(p-tolyl)-2-thioxo-imidazolidin-4-yl]acetic acid hydrate CAS Name: 2-[1-(4-methylphenyl)-5-oxo-2-sulfanylidene-4-imidazolidinyl]acetic acid hydrate IUPAC Name: 2-[1-(4-methylphenyl)-5-oxo-2-sulfanylideneimidazolidin-4-yl]acetic acid hydrate Traditional Name: 2-[5-keto-1-(p-tolyl)-2-thioxo-imidazolidin-4-yl]acetic acid hydrate Formula: C12H14N2O4S MolecularWeight: 282.31556

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)N2C(=O)C(NC2=S)CC(=O)O.O

Isomeric SMILES

CC1=CC=C(C=C1)N2C(=O)C(NC2=S)CC(=O)O.O

InChI

InChI=1S/C12H12N2O3S.H2O/c1-7-2-4-8(5-3-7)14-11(17)9(6-10(15)16)13-12(14)18;/h2-5,9H,6H2,1H3,(H,13,18)(H,15,16);1H2