[2-oxidanylidene-2-[4-(propanoylamino)phenyl]ethyl] 3-(3,4-dimethylphenyl)sulfanylpropanoate

Systemtic Name: [2-oxidanylidene-2-[4-(propanoylamino)phenyl]ethyl] 3-(3,4-dimethylphenyl)sulfanylpropanoate Openeye Name: [2-oxo-2-[4-(propanoylamino)phenyl]ethyl] 3-(3,4-dimethylphenyl)sulfanylpropanoate CAS Name: 3-[(3,4-dimethylphenyl)thio]propanoic acid [2-oxo-2-[4-(1-oxopropylamino)phenyl]ethyl] ester IUPAC Name: [2-oxo-2-[4-(propanoylamino)phenyl]ethyl] 3-(3,4-dimethylphenyl)sulfanylpropanoate Traditional Name: 3-[(3,4-dimethylphenyl)thio]propionic acid [2-keto-2-(4-propionamidophenyl)ethyl] ester Formula: C22H25NO4S MolecularWeight: 399.5032

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Descriptors Computed from Structure

Canonical SMILES:

CCC(=O)NC1=CC=C(C=C1)C(=O)COC(=O)CCSC2=CC(=C(C=C2)C)C

Isomeric SMILES

CCC(=O)NC1=CC=C(C=C1)C(=O)COC(=O)CCSC2=CC(=C(C=C2)C)C

InChI

InChI=1S/C22H25NO4S/c1-4-21(25)23-18-8-6-17(7-9-18)20(24)14-27-22(26)11-12-28-19-10-5-15(2)16(3)13-19/h5-10,13H,4,11-12,14H2,1-3H3,(H,23,25)