ethyl 2-deuterio-1-[[(2S,3R)-3-tributylstannyl-1-(triphenylmethyl)aziridin-2-yl]methyl]indole-3-carboxylate

Systemtic Name: ethyl 2-deuterio-1-[[(2S,3R)-3-tributylstannyl-1-(triphenylmethyl)aziridin-2-yl]methyl]indole-3-carboxylate Openeye Name: ethyl 2-deuterio-1-[[(2S,3R)-3-tributylstannyl-1-trityl-aziridin-2-yl]methyl]indole-3-carboxylate CAS Name: 2-deuterio-1-[[(2S,3R)-3-tributylstannyl-1-(triphenylmethyl)-2-aziridinyl]methyl]-3-indolecarboxylic acid ethyl ester IUPAC Name: ethyl 2-deuterio-1-[[(2S,3R)-3-tributylstannyl-1-tritylaziridin-2-yl]methyl]indole-3-carboxylate Traditional Name: 2-deuterio-1-[[(2S,3R)-3-tributylstannyl-1-trityl-ethylenimin-2-yl]methyl]indole-3-carboxylic acid ethyl ester Formula: C45H56N2O2Sn MolecularWeight: 776.654502

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Descriptors Computed from Structure

Canonical SMILES:

CCCC[Sn](CCCC)(CCCC)C1C(N1C(C2=CC=CC=C2)(C3=CC=CC=C3)C4=CC=CC=C4)CN5C=C(C6=CC=CC=C65)C(=O)OCC

Isomeric SMILES

[2H]C1=C(C2=CC=CC=C2N1C[C@H]3[C@H](N3C(C4=CC=CC=C4)(C5=CC=CC=C5)C6=CC=CC=C6)[Sn](CCCC)(CCCC)CCCC)C(=O)OCC

InChI

InChI=1S/C33H29N2O2.3C4H9.Sn/c1-2-37-32(36)30-24-34(31-21-13-12-20-29(30)31)22-28-23-35(28)33(25-14-6-3-7-15-25,26-16-8-4-9-17-26)27-18-10-5-11-19-27;3*1-3-4-2;/h3-21,23-24,28H,2,22H2,1H3;3*1,3-4H2,2H3;/t28-,35?;;;;/m0..../s1/i24D;;;;