[2-oxidanylidene-2-[phenethyl-(phenylmethyl)amino]ethyl] 2-(4,6-dimethylpyrimidin-2-yl)sulfanylethanoate

Systemtic Name: [2-oxidanylidene-2-[phenethyl-(phenylmethyl)amino]ethyl] 2-(4,6-dimethylpyrimidin-2-yl)sulfanylethanoate Openeye Name: [2-[benzyl(phenethyl)amino]-2-oxo-ethyl] 2-(4,6-dimethylpyrimidin-2-yl)sulfanylacetate CAS Name: 2-[(4,6-dimethyl-2-pyrimidinyl)thio]acetic acid [2-oxo-2-[phenethyl-(phenylmethyl)amino]ethyl] ester IUPAC Name: [2-[benzyl(phenethyl)amino]-2-oxoethyl] 2-(4,6-dimethylpyrimidin-2-yl)sulfanylacetate Traditional Name: 2-[(4,6-dimethylpyrimidin-2-yl)thio]acetic acid [2-[benzyl(phenethyl)amino]-2-keto-ethyl] ester Formula: C25H27N3O3S MolecularWeight: 449.56518

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NC(=N1)SCC(=O)OCC(=O)N(CCC2=CC=CC=C2)CC3=CC=CC=C3)C

Isomeric SMILES

CC1=CC(=NC(=N1)SCC(=O)OCC(=O)N(CCC2=CC=CC=C2)CC3=CC=CC=C3)C

InChI

InChI=1S/C25H27N3O3S/c1-19-15-20(2)27-25(26-19)32-18-24(30)31-17-23(29)28(16-22-11-7-4-8-12-22)14-13-21-9-5-3-6-10-21/h3-12,15H,13-14,16-18H2,1-2H3