S-[1-(2,2-diphenylethanoyl)-3,3-dimethyl-2-phenyl-aziridin-2-yl] ethanethioate

Systemtic Name: S-[1-(2,2-diphenylethanoyl)-3,3-dimethyl-2-phenyl-aziridin-2-yl] ethanethioate Openeye Name: S-[1-(2,2-diphenylacetyl)-3,3-dimethyl-2-phenyl-aziridin-2-yl] ethanethioate CAS Name: ethanethioic acid S-[3,3-dimethyl-1-(1-oxo-2,2-diphenylethyl)-2-phenyl-2-aziridinyl] ester IUPAC Name: S-[1-(2,2-diphenylacetyl)-3,3-dimethyl-2-phenylaziridin-2-yl] ethanethioate Traditional Name: ethanethioic acid S-[1-(2,2-diphenylacetyl)-3,3-dimethyl-2-phenyl-ethylenimin-2-yl] ester Formula: C26H25NO2S MolecularWeight: 415.5472

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(=O)SC1(C(N1C(=O)C(C2=CC=CC=C2)C3=CC=CC=C3)(C)C)C4=CC=CC=C4

Isomeric SMILES

CC(=O)SC1(C(N1C(=O)C(C2=CC=CC=C2)C3=CC=CC=C3)(C)C)C4=CC=CC=C4

InChI

InChI=1S/C26H25NO2S/c1-19(28)30-26(22-17-11-6-12-18-22)25(2,3)27(26)24(29)23(20-13-7-4-8-14-20)21-15-9-5-10-16-21/h4-18,23H,1-3H3