tert-butyl (2S)-2-[(1S)-3-(1,3-dithian-2-yl)-1-phenylmethoxy-propyl]aziridine-1-carboxylate

Systemtic Name: tert-butyl (2S)-2-[(1S)-3-(1,3-dithian-2-yl)-1-phenylmethoxy-propyl]aziridine-1-carboxylate Openeye Name: tert-butyl (2S)-2-[(1S)-1-benzyloxy-3-(1,3-dithian-2-yl)propyl]aziridine-1-carboxylate CAS Name: (2S)-2-[(1S)-3-(1,3-dithian-2-yl)-1-phenylmethoxypropyl]-1-aziridinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl (2S)-2-[(1S)-3-(1,3-dithian-2-yl)-1-phenylmethoxypropyl]aziridine-1-carboxylate Traditional Name: (2S)-2-[(1S)-1-benzoxy-3-(1,3-dithian-2-yl)propyl]ethylenimine-1-carboxylic acid tert-butyl ester Formula: C21H31NO3S2 MolecularWeight: 409.60574

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)N1CC1C(CCC2SCCCS2)OCC3=CC=CC=C3

Isomeric SMILES

CC(C)(C)OC(=O)N1C[C@H]1[C@H](CCC2SCCCS2)OCC3=CC=CC=C3

InChI

InChI=1S/C21H31NO3S2/c1-21(2,3)25-20(23)22-14-17(22)18(10-11-19-26-12-7-13-27-19)24-15-16-8-5-4-6-9-16/h4-6,8-9,17-19H,7,10-15H2,1-3H3/t17-,18-,22?/m0/s1