[2-oxidanylidene-2-(3-phenylsulfanylpropylamino)ethyl] 2-[(3,5-dimethylphenyl)carbonylamino]ethanoate

Systemtic Name: [2-oxidanylidene-2-(3-phenylsulfanylpropylamino)ethyl] 2-[(3,5-dimethylphenyl)carbonylamino]ethanoate Openeye Name: [2-oxo-2-(3-phenylsulfanylpropylamino)ethyl] 2-[(3,5-dimethylbenzoyl)amino]acetate CAS Name: 2-[[(3,5-dimethylphenyl)-oxomethyl]amino]acetic acid [2-oxo-2-[3-(phenylthio)propylamino]ethyl] ester IUPAC Name: [2-oxo-2-(3-phenylsulfanylpropylamino)ethyl] 2-[(3,5-dimethylbenzoyl)amino]acetate Traditional Name: 2-[(3,5-dimethylbenzoyl)amino]acetic acid [2-keto-2-[3-(phenylthio)propylamino]ethyl] ester Formula: C22H26N2O4S MolecularWeight: 414.51784

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1)C(=O)NCC(=O)OCC(=O)NCCCSC2=CC=CC=C2)C

Isomeric SMILES

CC1=CC(=CC(=C1)C(=O)NCC(=O)OCC(=O)NCCCSC2=CC=CC=C2)C

InChI

InChI=1S/C22H26N2O4S/c1-16-11-17(2)13-18(12-16)22(27)24-14-21(26)28-15-20(25)23-9-6-10-29-19-7-4-3-5-8-19/h3-5,7-8,11-13H,6,9-10,14-15H2,1-2H3,(H,23,25)(H,24,27)