(phenylmethyl) 3-[(4S)-1-(3-methylphenyl)-5-oxidanylidene-2-sulfanylidene-imidazolidin-4-yl]propanoate

Systemtic Name: (phenylmethyl) 3-[(4S)-1-(3-methylphenyl)-5-oxidanylidene-2-sulfanylidene-imidazolidin-4-yl]propanoate Openeye Name: benzyl 3-[(4S)-1-(m-tolyl)-5-oxo-2-thioxo-imidazolidin-4-yl]propanoate CAS Name: 3-[(4S)-1-(3-methylphenyl)-5-oxo-2-sulfanylidene-4-imidazolidinyl]propanoic acid (phenylmethyl) ester IUPAC Name: benzyl 3-[(4S)-1-(3-methylphenyl)-5-oxo-2-sulfanylideneimidazolidin-4-yl]propanoate Traditional Name: 3-[(4S)-5-keto-1-(m-tolyl)-2-thioxo-imidazolidin-4-yl]propionic acid benzyl ester Formula: C20H20N2O3S MolecularWeight: 368.4494

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)N2C(=O)C(NC2=S)CCC(=O)OCC3=CC=CC=C3

Isomeric SMILES

CC1=CC(=CC=C1)N2C(=O)[C@@H](NC2=S)CCC(=O)OCC3=CC=CC=C3

InChI

InChI=1S/C20H20N2O3S/c1-14-6-5-9-16(12-14)22-19(24)17(21-20(22)26)10-11-18(23)25-13-15-7-3-2-4-8-15/h2-9,12,17H,10-11,13H2,1H3,(H,21,26)/t17-/m0/s1