tert-butyl (2S,3S)-2-bromanyl-3-[(3-cyanoindol-1-yl)methyl]aziridine-1-carboxylate

Systemtic Name: tert-butyl (2S,3S)-2-bromanyl-3-[(3-cyanoindol-1-yl)methyl]aziridine-1-carboxylate Openeye Name: tert-butyl (2S,3S)-2-bromo-3-[(3-cyanoindol-1-yl)methyl]aziridine-1-carboxylate CAS Name: (2S,3S)-2-bromo-3-[(3-cyano-1-indolyl)methyl]-1-aziridinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl (2S,3S)-2-bromo-3-[(3-cyanoindol-1-yl)methyl]aziridine-1-carboxylate Traditional Name: (2S,3S)-2-bromo-3-[(3-cyanoindol-1-yl)methyl]ethylenimine-1-carboxylic acid tert-butyl ester Formula: C17H18BrN3O2 MolecularWeight: 376.24772

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)N1C(C1Br)CN2C=C(C3=CC=CC=C32)C#N

Isomeric SMILES

CC(C)(C)OC(=O)N1[C@H]([C@@H]1Br)CN2C=C(C3=CC=CC=C32)C#N

InChI

InChI=1S/C17H18BrN3O2/c1-17(2,3)23-16(22)21-14(15(21)18)10-20-9-11(8-19)12-6-4-5-7-13(12)20/h4-7,9,14-15H,10H2,1-3H3/t14-,15+,21?/m0/s1