[(2S)-1-oxidanylidene-1-[(phenylmethyl)amino]propan-2-yl] 2-(benzotriazol-1-yl)ethanoate

Systemtic Name: [(2S)-1-oxidanylidene-1-[(phenylmethyl)amino]propan-2-yl] 2-(benzotriazol-1-yl)ethanoate Openeye Name: [(1S)-2-(benzylamino)-1-methyl-2-oxo-ethyl] 2-(benzotriazol-1-yl)acetate CAS Name: 2-(1-benzotriazolyl)acetic acid [(2S)-1-oxo-1-[(phenylmethyl)amino]propan-2-yl] ester IUPAC Name: [(2S)-1-(benzylamino)-1-oxopropan-2-yl] 2-(benzotriazol-1-yl)acetate Traditional Name: 2-(benzotriazol-1-yl)acetic acid [(1S)-2-(benzylamino)-2-keto-1-methyl-ethyl] ester Formula: C18H18N4O3 MolecularWeight: 338.36052

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NCC1=CC=CC=C1)OC(=O)CN2C3=CC=CC=C3N=N2

Isomeric SMILES

C[C@@H](C(=O)NCC1=CC=CC=C1)OC(=O)CN2C3=CC=CC=C3N=N2

InChI

InChI=1S/C18H18N4O3/c1-13(18(24)19-11-14-7-3-2-4-8-14)25-17(23)12-22-16-10-6-5-9-15(16)20-21-22/h2-10,13H,11-12H2,1H3,(H,19,24)/t13-/m0/s1