[2-(4-ethylphenyl)-2-oxidanylidene-ethyl] 2-benzamido-4-methylsulfanyl-butanoate

Systemtic Name: [2-(4-ethylphenyl)-2-oxidanylidene-ethyl] 2-benzamido-4-methylsulfanyl-butanoate Openeye Name: [2-(4-ethylphenyl)-2-oxo-ethyl] 2-benzamido-4-methylsulfanyl-butanoate CAS Name: 2-benzamido-4-(methylthio)butanoic acid [2-(4-ethylphenyl)-2-oxoethyl] ester IUPAC Name: [2-(4-ethylphenyl)-2-oxoethyl] 2-benzamido-4-methylsulfanylbutanoate Traditional Name: 2-benzamido-4-(methylthio)butyric acid [2-(4-ethylphenyl)-2-keto-ethyl] ester Formula: C22H25NO4S MolecularWeight: 399.5032

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)C(=O)COC(=O)C(CCSC)NC(=O)C2=CC=CC=C2

Isomeric SMILES

CCC1=CC=C(C=C1)C(=O)COC(=O)C(CCSC)NC(=O)C2=CC=CC=C2

InChI

InChI=1S/C22H25NO4S/c1-3-16-9-11-17(12-10-16)20(24)15-27-22(26)19(13-14-28-2)23-21(25)18-7-5-4-6-8-18/h4-12,19H,3,13-15H2,1-2H3,(H,23,25)