[2-oxidanylidene-2-(3-phenylsulfanylpropylamino)ethyl] 4-(acetamidomethyl)benzoate

Systemtic Name: [2-oxidanylidene-2-(3-phenylsulfanylpropylamino)ethyl] 4-(acetamidomethyl)benzoate Openeye Name: [2-oxo-2-(3-phenylsulfanylpropylamino)ethyl] 4-(acetamidomethyl)benzoate CAS Name: 4-(acetamidomethyl)benzoic acid [2-oxo-2-[3-(phenylthio)propylamino]ethyl] ester IUPAC Name: [2-oxo-2-(3-phenylsulfanylpropylamino)ethyl] 4-(acetamidomethyl)benzoate Traditional Name: 4-(acetamidomethyl)benzoic acid [2-keto-2-[3-(phenylthio)propylamino]ethyl] ester Formula: C21H24N2O4S MolecularWeight: 400.49126

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NCC1=CC=C(C=C1)C(=O)OCC(=O)NCCCSC2=CC=CC=C2

Isomeric SMILES

CC(=O)NCC1=CC=C(C=C1)C(=O)OCC(=O)NCCCSC2=CC=CC=C2

InChI

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