[2-oxidanylidene-2-(3-phenylsulfanylpropylamino)ethyl] 4-[(4-chlorophenyl)carbonylamino]butanoate

Systemtic Name: [2-oxidanylidene-2-(3-phenylsulfanylpropylamino)ethyl] 4-[(4-chlorophenyl)carbonylamino]butanoate Openeye Name: [2-oxo-2-(3-phenylsulfanylpropylamino)ethyl] 4-[(4-chlorobenzoyl)amino]butanoate CAS Name: 4-[[(4-chlorophenyl)-oxomethyl]amino]butanoic acid [2-oxo-2-[3-(phenylthio)propylamino]ethyl] ester IUPAC Name: [2-oxo-2-(3-phenylsulfanylpropylamino)ethyl] 4-[(4-chlorobenzoyl)amino]butanoate Traditional Name: 4-[(4-chlorobenzoyl)amino]butyric acid [2-keto-2-[3-(phenylthio)propylamino]ethyl] ester Formula: C22H25ClN2O4S MolecularWeight: 448.9629

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)SCCCNC(=O)COC(=O)CCCNC(=O)C2=CC=C(C=C2)Cl

Isomeric SMILES

C1=CC=C(C=C1)SCCCNC(=O)COC(=O)CCCNC(=O)C2=CC=C(C=C2)Cl

InChI

InChI=1S/C22H25ClN2O4S/c23-18-11-9-17(10-12-18)22(28)25-13-4-8-21(27)29-16-20(26)24-14-5-15-30-19-6-2-1-3-7-19/h1-3,6-7,9-12H,4-5,8,13-16H2,(H,24,26)(H,25,28)