[2-oxidanylidene-2-(3-phenylsulfanylpropylamino)ethyl] 2-[(3-methylphenyl)carbonylamino]ethanoate

Systemtic Name: [2-oxidanylidene-2-(3-phenylsulfanylpropylamino)ethyl] 2-[(3-methylphenyl)carbonylamino]ethanoate Openeye Name: [2-oxo-2-(3-phenylsulfanylpropylamino)ethyl] 2-[(3-methylbenzoyl)amino]acetate CAS Name: 2-[[(3-methylphenyl)-oxomethyl]amino]acetic acid [2-oxo-2-[3-(phenylthio)propylamino]ethyl] ester IUPAC Name: [2-oxo-2-(3-phenylsulfanylpropylamino)ethyl] 2-[(3-methylbenzoyl)amino]acetate Traditional Name: 2-(m-toluoylamino)acetic acid [2-keto-2-[3-(phenylthio)propylamino]ethyl] ester Formula: C21H24N2O4S MolecularWeight: 400.49126

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H24N2O4S/c1-16-7-5-8-17(13-16)21(26)23-14-20(25)27-15-19(24)22-11-6-12-28-18-9-3-2-4-10-18/h2-5,7-10,13H,6,11-12,14-15H2,1H3,(H,22,24)(H,23,26)