propyl 4-[2-[2-(3,4-dimethylphenyl)sulfanylethanoyloxy]ethanoylamino]benzoate

Systemtic Name: propyl 4-[2-[2-(3,4-dimethylphenyl)sulfanylethanoyloxy]ethanoylamino]benzoate Openeye Name: propyl 4-[[2-[2-(3,4-dimethylphenyl)sulfanylacetyl]oxyacetyl]amino]benzoate CAS Name: 4-[[2-[2-[(3,4-dimethylphenyl)thio]-1-oxoethoxy]-1-oxoethyl]amino]benzoic acid propyl ester IUPAC Name: propyl 4-[[2-[2-(3,4-dimethylphenyl)sulfanylacetyl]oxyacetyl]amino]benzoate Traditional Name: 4-[[2-[2-[(3,4-dimethylphenyl)thio]acetyl]oxyacetyl]amino]benzoic acid propyl ester Formula: C22H25NO5S MolecularWeight: 415.5026

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCOC(=O)C1=CC=C(C=C1)NC(=O)COC(=O)CSC2=CC(=C(C=C2)C)C

Isomeric SMILES

CCCOC(=O)C1=CC=C(C=C1)NC(=O)COC(=O)CSC2=CC(=C(C=C2)C)C

InChI

InChI=1S/C22H25NO5S/c1-4-11-27-22(26)17-6-8-18(9-7-17)23-20(24)13-28-21(25)14-29-19-10-5-15(2)16(3)12-19/h5-10,12H,4,11,13-14H2,1-3H3,(H,23,24)