[(2S)-1-[(2-cyanophenyl)amino]-1-oxidanylidene-propan-2-yl] (2R)-3-phenyl-2-(1,2,3,4-tetrazol-1-yl)propanoate

Systemtic Name: [(2S)-1-[(2-cyanophenyl)amino]-1-oxidanylidene-propan-2-yl] (2R)-3-phenyl-2-(1,2,3,4-tetrazol-1-yl)propanoate Openeye Name: [(1S)-2-(2-cyanoanilino)-1-methyl-2-oxo-ethyl] (2R)-3-phenyl-2-(tetrazol-1-yl)propanoate CAS Name: (2R)-3-phenyl-2-(1-tetrazolyl)propanoic acid [(2S)-1-(2-cyanoanilino)-1-oxopropan-2-yl] ester IUPAC Name: [(2S)-1-(2-cyanoanilino)-1-oxopropan-2-yl] (2R)-3-phenyl-2-(tetrazol-1-yl)propanoate Traditional Name: (2R)-3-phenyl-2-(tetrazol-1-yl)propionic acid [(1S)-2-(2-cyanoanilino)-2-keto-1-methyl-ethyl] ester Formula: C20H18N6O3 MolecularWeight: 390.39532

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=CC=CC=C1C#N)OC(=O)C(CC2=CC=CC=C2)N3C=NN=N3

Isomeric SMILES

C[C@@H](C(=O)NC1=CC=CC=C1C#N)OC(=O)[C@@H](CC2=CC=CC=C2)N3C=NN=N3

InChI

InChI=1S/C20H18N6O3/c1-14(19(27)23-17-10-6-5-9-16(17)12-21)29-20(28)18(26-13-22-24-25-26)11-15-7-3-2-4-8-15/h2-10,13-14,18H,11H2,1H3,(H,23,27)/t14-,18+/m0/s1