tert-butyl (2S,3S)-2-[(E)-3-methoxy-3-oxidanylidene-prop-1-enyl]-3-(phenylmethyl)aziridine-1-carboxylate

Systemtic Name: tert-butyl (2S,3S)-2-[(E)-3-methoxy-3-oxidanylidene-prop-1-enyl]-3-(phenylmethyl)aziridine-1-carboxylate Openeye Name: tert-butyl (2S,3S)-2-benzyl-3-[(E)-3-methoxy-3-oxo-prop-1-enyl]aziridine-1-carboxylate CAS Name: (2S,3S)-2-[(E)-3-methoxy-3-oxoprop-1-enyl]-3-(phenylmethyl)-1-aziridinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl (2S,3S)-2-benzyl-3-[(E)-3-methoxy-3-oxoprop-1-enyl]aziridine-1-carboxylate Traditional Name: (2S,3S)-2-benzyl-3-[(E)-3-keto-3-methoxy-prop-1-enyl]ethylenimine-1-carboxylic acid tert-butyl ester Formula: C18H23NO4 MolecularWeight: 317.37952

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)N1C(C1C=CC(=O)OC)CC2=CC=CC=C2

Isomeric SMILES

CC(C)(C)OC(=O)N1[C@H]([C@@H]1/C=C/C(=O)OC)CC2=CC=CC=C2

InChI

InChI=1S/C18H23NO4/c1-18(2,3)23-17(21)19-14(10-11-16(20)22-4)15(19)12-13-8-6-5-7-9-13/h5-11,14-15H,12H2,1-4H3/b11-10+/t14-,15-,19?/m0/s1