[(2S)-1-[(3-cyanothiophen-2-yl)amino]-1-oxidanylidene-propan-2-yl] 2-(4-phenylmethoxyphenoxy)ethanoate

Systemtic Name: [(2S)-1-[(3-cyanothiophen-2-yl)amino]-1-oxidanylidene-propan-2-yl] 2-(4-phenylmethoxyphenoxy)ethanoate Openeye Name: [(1S)-2-[(3-cyano-2-thienyl)amino]-1-methyl-2-oxo-ethyl] 2-(4-benzyloxyphenoxy)acetate CAS Name: 2-(4-phenylmethoxyphenoxy)acetic acid [(2S)-1-[(3-cyano-2-thiophenyl)amino]-1-oxopropan-2-yl] ester IUPAC Name: [(2S)-1-[(3-cyanothiophen-2-yl)amino]-1-oxopropan-2-yl] 2-(4-phenylmethoxyphenoxy)acetate Traditional Name: 2-(4-benzoxyphenoxy)acetic acid [(1S)-2-[(3-cyano-2-thienyl)amino]-2-keto-1-methyl-ethyl] ester Formula: C23H20N2O5S MolecularWeight: 436.4803

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=C(C=CS1)C#N)OC(=O)COC2=CC=C(C=C2)OCC3=CC=CC=C3

Isomeric SMILES

C[C@@H](C(=O)NC1=C(C=CS1)C#N)OC(=O)COC2=CC=C(C=C2)OCC3=CC=CC=C3

InChI

InChI=1S/C23H20N2O5S/c1-16(22(27)25-23-18(13-24)11-12-31-23)30-21(26)15-29-20-9-7-19(8-10-20)28-14-17-5-3-2-4-6-17/h2-12,16H,14-15H2,1H3,(H,25,27)/t16-/m0/s1