(phenylmethyl) 2-[2-[2-(4-methylsulfonylphenyl)-4-oxidanylidene-1,3-thiazolidin-3-yl]ethanoylamino]ethanoate

Systemtic Name: (phenylmethyl) 2-[2-[2-(4-methylsulfonylphenyl)-4-oxidanylidene-1,3-thiazolidin-3-yl]ethanoylamino]ethanoate Openeye Name: benzyl 2-[[2-[2-(4-methylsulfonylphenyl)-4-oxo-thiazolidin-3-yl]acetyl]amino]acetate CAS Name: 2-[[2-[2-(4-methylsulfonylphenyl)-4-oxo-3-thiazolidinyl]-1-oxoethyl]amino]acetic acid (phenylmethyl) ester IUPAC Name: benzyl 2-[[2-[2-(4-methylsulfonylphenyl)-4-oxo-1,3-thiazolidin-3-yl]acetyl]amino]acetate Traditional Name: 2-[[2-[4-keto-2-(4-mesylphenyl)thiazolidin-3-yl]acetyl]amino]acetic acid benzyl ester Formula: C21H22N2O6S2 MolecularWeight: 462.53918

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)C1=CC=C(C=C1)C2N(C(=O)CS2)CC(=O)NCC(=O)OCC3=CC=CC=C3

Isomeric SMILES

CS(=O)(=O)C1=CC=C(C=C1)C2N(C(=O)CS2)CC(=O)NCC(=O)OCC3=CC=CC=C3

InChI

InChI=1S/C21H22N2O6S2/c1-31(27,28)17-9-7-16(8-10-17)21-23(19(25)14-30-21)12-18(24)22-11-20(26)29-13-15-5-3-2-4-6-15/h2-10,21H,11-14H2,1H3,(H,22,24)