methyl 3-[[2-(ethanoylsulfanylmethyl)-3-phenyl-propanoyl]amino]-4-morpholin-4-yl-benzoate

Systemtic Name: methyl 3-[[2-(ethanoylsulfanylmethyl)-3-phenyl-propanoyl]amino]-4-morpholin-4-yl-benzoate Openeye Name: methyl 3-[[2-(acetylsulfanylmethyl)-3-phenyl-propanoyl]amino]-4-morpholino-benzoate CAS Name: 3-[[2-[(acetylthio)methyl]-1-oxo-3-phenylpropyl]amino]-4-(4-morpholinyl)benzoic acid methyl ester IUPAC Name: methyl 3-[[2-(acetylsulfanylmethyl)-3-phenylpropanoyl]amino]-4-morpholin-4-ylbenzoate Traditional Name: 3-[[2-[(acetylthio)methyl]-3-phenyl-propanoyl]amino]-4-morpholino-benzoic acid methyl ester Formula: C24H28N2O5S MolecularWeight: 456.55452

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)SCC(CC1=CC=CC=C1)C(=O)NC2=C(C=CC(=C2)C(=O)OC)N3CCOCC3

Isomeric SMILES

CC(=O)SCC(CC1=CC=CC=C1)C(=O)NC2=C(C=CC(=C2)C(=O)OC)N3CCOCC3

InChI

InChI=1S/C24H28N2O5S/c1-17(27)32-16-20(14-18-6-4-3-5-7-18)23(28)25-21-15-19(24(29)30-2)8-9-22(21)26-10-12-31-13-11-26/h3-9,15,20H,10-14,16H2,1-2H3,(H,25,28)