[2-oxidanylidene-2-[4-(propanoylamino)phenyl]ethyl] 2-(2,5-dimethylphenyl)sulfanylethanoate

Systemtic Name: [2-oxidanylidene-2-[4-(propanoylamino)phenyl]ethyl] 2-(2,5-dimethylphenyl)sulfanylethanoate Openeye Name: [2-oxo-2-[4-(propanoylamino)phenyl]ethyl] 2-(2,5-dimethylphenyl)sulfanylacetate CAS Name: 2-[(2,5-dimethylphenyl)thio]acetic acid [2-oxo-2-[4-(1-oxopropylamino)phenyl]ethyl] ester IUPAC Name: [2-oxo-2-[4-(propanoylamino)phenyl]ethyl] 2-(2,5-dimethylphenyl)sulfanylacetate Traditional Name: 2-[(2,5-dimethylphenyl)thio]acetic acid [2-keto-2-(4-propionamidophenyl)ethyl] ester Formula: C21H23NO4S MolecularWeight: 385.47662

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Descriptors Computed from Structure

Canonical SMILES:

CCC(=O)NC1=CC=C(C=C1)C(=O)COC(=O)CSC2=C(C=CC(=C2)C)C

Isomeric SMILES

CCC(=O)NC1=CC=C(C=C1)C(=O)COC(=O)CSC2=C(C=CC(=C2)C)C

InChI

InChI=1S/C21H23NO4S/c1-4-20(24)22-17-9-7-16(8-10-17)18(23)12-26-21(25)13-27-19-11-14(2)5-6-15(19)3/h5-11H,4,12-13H2,1-3H3,(H,22,24)