methyl (2R)-2-[2-[2-(2,4-dimethylphenyl)sulfanylethanoyloxy]ethanoylamino]-3-phenyl-propanoate

Systemtic Name: methyl (2R)-2-[2-[2-(2,4-dimethylphenyl)sulfanylethanoyloxy]ethanoylamino]-3-phenyl-propanoate Openeye Name: methyl (2R)-2-[[2-[2-(2,4-dimethylphenyl)sulfanylacetyl]oxyacetyl]amino]-3-phenyl-propanoate CAS Name: (2R)-2-[[2-[2-[(2,4-dimethylphenyl)thio]-1-oxoethoxy]-1-oxoethyl]amino]-3-phenylpropanoic acid methyl ester IUPAC Name: methyl (2R)-2-[[2-[2-(2,4-dimethylphenyl)sulfanylacetyl]oxyacetyl]amino]-3-phenylpropanoate Traditional Name: (2R)-2-[[2-[2-[(2,4-dimethylphenyl)thio]acetyl]oxyacetyl]amino]-3-phenyl-propionic acid methyl ester Formula: C22H25NO5S MolecularWeight: 415.5026

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)SCC(=O)OCC(=O)NC(CC2=CC=CC=C2)C(=O)OC)C

Isomeric SMILES

CC1=CC(=C(C=C1)SCC(=O)OCC(=O)N[C@H](CC2=CC=CC=C2)C(=O)OC)C

InChI

InChI=1S/C22H25NO5S/c1-15-9-10-19(16(2)11-15)29-14-21(25)28-13-20(24)23-18(22(26)27-3)12-17-7-5-4-6-8-17/h4-11,18H,12-14H2,1-3H3,(H,23,24)/t18-/m1/s1