S-[2-(4-chlorophenyl)-1-(2,2-diphenylethanoyl)-3,3-dimethyl-aziridin-2-yl] ethanethioate

Systemtic Name: S-[2-(4-chlorophenyl)-1-(2,2-diphenylethanoyl)-3,3-dimethyl-aziridin-2-yl] ethanethioate Openeye Name: S-[2-(4-chlorophenyl)-1-(2,2-diphenylacetyl)-3,3-dimethyl-aziridin-2-yl] ethanethioate CAS Name: ethanethioic acid S-[2-(4-chlorophenyl)-3,3-dimethyl-1-(1-oxo-2,2-diphenylethyl)-2-aziridinyl] ester IUPAC Name: S-[2-(4-chlorophenyl)-1-(2,2-diphenylacetyl)-3,3-dimethylaziridin-2-yl] ethanethioate Traditional Name: ethanethioic acid S-[2-(4-chlorophenyl)-1-(2,2-diphenylacetyl)-3,3-dimethyl-ethylenimin-2-yl] ester Formula: C26H24ClNO2S MolecularWeight: 449.99226

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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=C(C=C4)Cl

Isomeric SMILES

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

InChI

InChI=1S/C26H24ClNO2S/c1-18(29)31-26(21-14-16-22(27)17-15-21)25(2,3)28(26)24(30)23(19-10-6-4-7-11-19)20-12-8-5-9-13-20/h4-17,23H,1-3H3