[2-oxidanylidene-2-[[(2R)-3-oxidanylidene-1-phenyl-butan-2-yl]amino]ethyl] 2-(2,4-dimethylphenyl)sulfanylethanoate

Systemtic Name: [2-oxidanylidene-2-[[(2R)-3-oxidanylidene-1-phenyl-butan-2-yl]amino]ethyl] 2-(2,4-dimethylphenyl)sulfanylethanoate Openeye Name: [2-[[(1R)-1-benzyl-2-oxo-propyl]amino]-2-oxo-ethyl] 2-(2,4-dimethylphenyl)sulfanylacetate CAS Name: 2-[(2,4-dimethylphenyl)thio]acetic acid [2-oxo-2-[[(2R)-3-oxo-1-phenylbutan-2-yl]amino]ethyl] ester IUPAC Name: [2-oxo-2-[[(2R)-3-oxo-1-phenylbutan-2-yl]amino]ethyl] 2-(2,4-dimethylphenyl)sulfanylacetate Traditional Name: 2-[(2,4-dimethylphenyl)thio]acetic acid [2-[[(1R)-1-benzyl-2-keto-propyl]amino]-2-keto-ethyl] ester Formula: C22H25NO4S MolecularWeight: 399.5032

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H25NO4S/c1-15-9-10-20(16(2)11-15)28-14-22(26)27-13-21(25)23-19(17(3)24)12-18-7-5-4-6-8-18/h4-11,19H,12-14H2,1-3H3,(H,23,25)/t19-/m1/s1