ethyl (2R,4S)-3-[(1R)-1-(benzotriazol-1-yl)-2-ethoxy-2-oxidanylidene-ethyl]-4-phenyl-1,3-oxazolidin-3-ium-2-carboxylate

Systemtic Name: ethyl (2R,4S)-3-[(1R)-1-(benzotriazol-1-yl)-2-ethoxy-2-oxidanylidene-ethyl]-4-phenyl-1,3-oxazolidin-3-ium-2-carboxylate Openeye Name: ethyl (2R,4S)-3-[(1R)-1-(benzotriazol-1-yl)-2-ethoxy-2-oxo-ethyl]-4-phenyl-oxazolidin-3-ium-2-carboxylate CAS Name: (2R,4S)-3-[(1R)-1-(1-benzotriazolyl)-2-ethoxy-2-oxoethyl]-4-phenyl-2-oxazolidin-3-iumcarboxylic acid ethyl ester IUPAC Name: ethyl (2R,4S)-3-[(1R)-1-(benzotriazol-1-yl)-2-ethoxy-2-oxoethyl]-4-phenyl-1,3-oxazolidin-3-ium-2-carboxylate Traditional Name: (2R,4S)-3-[(1R)-1-(benzotriazol-1-yl)-2-ethoxy-2-keto-ethyl]-4-phenyl-oxazolidin-3-ium-2-carboxylic acid ethyl ester Formula: C22H25N4O5+ MolecularWeight: 425.4577

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1[NH+](C(CO1)C2=CC=CC=C2)C(C(=O)OCC)N3C4=CC=CC=C4N=N3

Isomeric SMILES

CCOC(=O)[C@@H]1[NH+]([C@H](CO1)C2=CC=CC=C2)[C@@H](C(=O)OCC)N3C4=CC=CC=C4N=N3

InChI

InChI=1S/C22H24N4O5/c1-3-29-21(27)19(26-17-13-9-8-12-16(17)23-24-26)25-18(15-10-6-5-7-11-15)14-31-20(25)22(28)30-4-2/h5-13,18-20H,3-4,14H2,1-2H3/p+1/t18-,19-,20-/m1/s1