[2-oxidanylidene-2-(2-phenylsulfanylethylamino)ethyl] 2,3,4,5,6-pentamethylbenzoate

Systemtic Name: [2-oxidanylidene-2-(2-phenylsulfanylethylamino)ethyl] 2,3,4,5,6-pentamethylbenzoate Openeye Name: [2-oxo-2-(2-phenylsulfanylethylamino)ethyl] 2,3,4,5,6-pentamethylbenzoate CAS Name: 2,3,4,5,6-pentamethylbenzoic acid [2-oxo-2-[2-(phenylthio)ethylamino]ethyl] ester IUPAC Name: [2-oxo-2-(2-phenylsulfanylethylamino)ethyl] 2,3,4,5,6-pentamethylbenzoate Traditional Name: 2,3,4,5,6-pentamethylbenzoic acid [2-keto-2-[2-(phenylthio)ethylamino]ethyl] ester Formula: C22H27NO3S MolecularWeight: 385.51968

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=C(C(=C1C)C)C(=O)OCC(=O)NCCSC2=CC=CC=C2)C)C

Isomeric SMILES

CC1=C(C(=C(C(=C1C)C)C(=O)OCC(=O)NCCSC2=CC=CC=C2)C)C

InChI

InChI=1S/C22H27NO3S/c1-14-15(2)17(4)21(18(5)16(14)3)22(25)26-13-20(24)23-11-12-27-19-9-7-6-8-10-19/h6-10H,11-13H2,1-5H3,(H,23,24)