propan-2-yl 4-[2-[(2S)-2-phenylsulfanylpropanoyl]oxyethanoylamino]benzoate

Systemtic Name: propan-2-yl 4-[2-[(2S)-2-phenylsulfanylpropanoyl]oxyethanoylamino]benzoate Openeye Name: isopropyl 4-[[2-[(2S)-2-phenylsulfanylpropanoyl]oxyacetyl]amino]benzoate CAS Name: 4-[[1-oxo-2-[(2S)-1-oxo-2-(phenylthio)propoxy]ethyl]amino]benzoic acid propan-2-yl ester IUPAC Name: propan-2-yl 4-[[2-[(2S)-2-phenylsulfanylpropanoyl]oxyacetyl]amino]benzoate Traditional Name: 4-[[2-[(2S)-2-(phenylthio)propanoyl]oxyacetyl]amino]benzoic acid isopropyl ester Formula: C21H23NO5S MolecularWeight: 401.47602

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)OC(=O)C1=CC=C(C=C1)NC(=O)COC(=O)C(C)SC2=CC=CC=C2

Isomeric SMILES

C[C@@H](C(=O)OCC(=O)NC1=CC=C(C=C1)C(=O)OC(C)C)SC2=CC=CC=C2

InChI

InChI=1S/C21H23NO5S/c1-14(2)27-21(25)16-9-11-17(12-10-16)22-19(23)13-26-20(24)15(3)28-18-7-5-4-6-8-18/h4-12,14-15H,13H2,1-3H3,(H,22,23)/t15-/m0/s1