[2-(diethylamino)-2-oxidanylidene-ethyl] 3-[[2-(ethanoylsulfanylmethyl)-3-phenyl-propanoyl]amino]benzoate

Systemtic Name: [2-(diethylamino)-2-oxidanylidene-ethyl] 3-[[2-(ethanoylsulfanylmethyl)-3-phenyl-propanoyl]amino]benzoate Openeye Name: [2-(diethylamino)-2-oxo-ethyl] 3-[[2-(acetylsulfanylmethyl)-3-phenyl-propanoyl]amino]benzoate CAS Name: 3-[[2-[(acetylthio)methyl]-1-oxo-3-phenylpropyl]amino]benzoic acid [2-(diethylamino)-2-oxoethyl] ester IUPAC Name: [2-(diethylamino)-2-oxoethyl] 3-[[2-(acetylsulfanylmethyl)-3-phenylpropanoyl]amino]benzoate Traditional Name: 3-[[2-[(acetylthio)methyl]-3-phenyl-propanoyl]amino]benzoic acid [2-(diethylamino)-2-keto-ethyl] ester Formula: C25H30N2O5S MolecularWeight: 470.5811

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)C(=O)COC(=O)C1=CC(=CC=C1)NC(=O)C(CC2=CC=CC=C2)CSC(=O)C

Isomeric SMILES

CCN(CC)C(=O)COC(=O)C1=CC(=CC=C1)NC(=O)C(CC2=CC=CC=C2)CSC(=O)C

InChI

InChI=1S/C25H30N2O5S/c1-4-27(5-2)23(29)16-32-25(31)20-12-9-13-22(15-20)26-24(30)21(17-33-18(3)28)14-19-10-7-6-8-11-19/h6-13,15,21H,4-5,14,16-17H2,1-3H3,(H,26,30)