[2-(3-acetamido-4-methylsulfanyl-phenyl)-2-oxidanylidene-ethyl] 4-[(4-chlorophenyl)carbonylamino]butanoate

Systemtic Name: [2-(3-acetamido-4-methylsulfanyl-phenyl)-2-oxidanylidene-ethyl] 4-[(4-chlorophenyl)carbonylamino]butanoate Openeye Name: [2-(3-acetamido-4-methylsulfanyl-phenyl)-2-oxo-ethyl] 4-[(4-chlorobenzoyl)amino]butanoate CAS Name: 4-[[(4-chlorophenyl)-oxomethyl]amino]butanoic acid [2-[3-acetamido-4-(methylthio)phenyl]-2-oxoethyl] ester IUPAC Name: [2-(3-acetamido-4-methylsulfanylphenyl)-2-oxoethyl] 4-[(4-chlorobenzoyl)amino]butanoate Traditional Name: 4-[(4-chlorobenzoyl)amino]butyric acid [2-[3-acetamido-4-(methylthio)phenyl]-2-keto-ethyl] ester Formula: C22H23ClN2O5S MolecularWeight: 462.94642

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC1=C(C=CC(=C1)C(=O)COC(=O)CCCNC(=O)C2=CC=C(C=C2)Cl)SC

Isomeric SMILES

CC(=O)NC1=C(C=CC(=C1)C(=O)COC(=O)CCCNC(=O)C2=CC=C(C=C2)Cl)SC

InChI

InChI=1S/C22H23ClN2O5S/c1-14(26)25-18-12-16(7-10-20(18)31-2)19(27)13-30-21(28)4-3-11-24-22(29)15-5-8-17(23)9-6-15/h5-10,12H,3-4,11,13H2,1-2H3,(H,24,29)(H,25,26)