[(2S)-1-(4-ethoxyphenyl)-1-oxidanylidene-propan-2-yl] 2-[methyl-(4-methylphenyl)sulfonyl-amino]ethanoate

Systemtic Name: [(2S)-1-(4-ethoxyphenyl)-1-oxidanylidene-propan-2-yl] 2-[methyl-(4-methylphenyl)sulfonyl-amino]ethanoate Openeye Name: [(1S)-2-(4-ethoxyphenyl)-1-methyl-2-oxo-ethyl] 2-[methyl(p-tolylsulfonyl)amino]acetate CAS Name: 2-[methyl-(4-methylphenyl)sulfonylamino]acetic acid [(2S)-1-(4-ethoxyphenyl)-1-oxopropan-2-yl] ester IUPAC Name: [(2S)-1-(4-ethoxyphenyl)-1-oxopropan-2-yl] 2-[methyl-(4-methylphenyl)sulfonylamino]acetate Traditional Name: 2-[methyl(tosyl)amino]acetic acid [(1S)-2-keto-1-methyl-2-p-phenetyl-ethyl] ester Formula: C21H25NO6S MolecularWeight: 419.4913

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)C(=O)C(C)OC(=O)CN(C)S(=O)(=O)C2=CC=C(C=C2)C

Isomeric SMILES

CCOC1=CC=C(C=C1)C(=O)[C@H](C)OC(=O)CN(C)S(=O)(=O)C2=CC=C(C=C2)C

InChI

InChI=1S/C21H25NO6S/c1-5-27-18-10-8-17(9-11-18)21(24)16(3)28-20(23)14-22(4)29(25,26)19-12-6-15(2)7-13-19/h6-13,16H,5,14H2,1-4H3/t16-/m0/s1