2-phenoxyethyl 3-[[2-(ethanoylsulfanylmethyl)-3-phenyl-propanoyl]amino]benzoate

Systemtic Name: 2-phenoxyethyl 3-[[2-(ethanoylsulfanylmethyl)-3-phenyl-propanoyl]amino]benzoate Openeye Name: 2-phenoxyethyl 3-[[2-(acetylsulfanylmethyl)-3-phenyl-propanoyl]amino]benzoate CAS Name: 3-[[2-[(acetylthio)methyl]-1-oxo-3-phenylpropyl]amino]benzoic acid 2-phenoxyethyl ester IUPAC Name: 2-phenoxyethyl 3-[[2-(acetylsulfanylmethyl)-3-phenylpropanoyl]amino]benzoate Traditional Name: 3-[[2-[(acetylthio)methyl]-3-phenyl-propanoyl]amino]benzoic acid 2-phenoxyethyl ester Formula: C27H27NO5S MolecularWeight: 477.57198

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)SCC(CC1=CC=CC=C1)C(=O)NC2=CC=CC(=C2)C(=O)OCCOC3=CC=CC=C3

Isomeric SMILES

CC(=O)SCC(CC1=CC=CC=C1)C(=O)NC2=CC=CC(=C2)C(=O)OCCOC3=CC=CC=C3

InChI

InChI=1S/C27H27NO5S/c1-20(29)34-19-23(17-21-9-4-2-5-10-21)26(30)28-24-12-8-11-22(18-24)27(31)33-16-15-32-25-13-6-3-7-14-25/h2-14,18,23H,15-17,19H2,1H3,(H,28,30)