[[2-(ethanoylsulfanylmethyl)-3-phenyl-propanoyl]amino] 4-morpholin-4-ylbenzoate

Systemtic Name: [[2-(ethanoylsulfanylmethyl)-3-phenyl-propanoyl]amino] 4-morpholin-4-ylbenzoate Openeye Name: [[2-(acetylsulfanylmethyl)-3-phenyl-propanoyl]amino] 4-morpholinobenzoate CAS Name: 4-(4-morpholinyl)benzoic acid [[2-[(acetylthio)methyl]-1-oxo-3-phenylpropyl]amino] ester IUPAC Name: [[2-(acetylsulfanylmethyl)-3-phenylpropanoyl]amino] 4-morpholin-4-ylbenzoate Traditional Name: 4-morpholinobenzoic acid [[2-[(acetylthio)methyl]-3-phenyl-propanoyl]amino] ester Formula: C23H26N2O5S MolecularWeight: 442.52794

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)SCC(CC1=CC=CC=C1)C(=O)NOC(=O)C2=CC=C(C=C2)N3CCOCC3

Isomeric SMILES

CC(=O)SCC(CC1=CC=CC=C1)C(=O)NOC(=O)C2=CC=C(C=C2)N3CCOCC3

InChI

InChI=1S/C23H26N2O5S/c1-17(26)31-16-20(15-18-5-3-2-4-6-18)22(27)24-30-23(28)19-7-9-21(10-8-19)25-11-13-29-14-12-25/h2-10,20H,11-16H2,1H3,(H,24,27)