[2-oxidanylidene-2-(2-phenylsulfanylethylamino)ethyl] 2,4,6-trimethylbenzoate

Systemtic Name: [2-oxidanylidene-2-(2-phenylsulfanylethylamino)ethyl] 2,4,6-trimethylbenzoate Openeye Name: [2-oxo-2-(2-phenylsulfanylethylamino)ethyl] 2,4,6-trimethylbenzoate CAS Name: 2,4,6-trimethylbenzoic acid [2-oxo-2-[2-(phenylthio)ethylamino]ethyl] ester IUPAC Name: [2-oxo-2-(2-phenylsulfanylethylamino)ethyl] 2,4,6-trimethylbenzoate Traditional Name: 2,4,6-trimethylbenzoic acid [2-keto-2-[2-(phenylthio)ethylamino]ethyl] ester Formula: C20H23NO3S MolecularWeight: 357.46652

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C(=C1)C)C(=O)OCC(=O)NCCSC2=CC=CC=C2)C

Isomeric SMILES

CC1=CC(=C(C(=C1)C)C(=O)OCC(=O)NCCSC2=CC=CC=C2)C

InChI

InChI=1S/C20H23NO3S/c1-14-11-15(2)19(16(3)12-14)20(23)24-13-18(22)21-9-10-25-17-7-5-4-6-8-17/h4-8,11-12H,9-10,13H2,1-3H3,(H,21,22)