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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)SCC(=O)OCC(=O)C2=CC=C(C=C2)CNC(=O)C)C

Isomeric SMILES

CC1=CC(=C(C=C1)SCC(=O)OCC(=O)C2=CC=C(C=C2)CNC(=O)C)C

InChI

InChI=1S/C21H23NO4S/c1-14-4-9-20(15(2)10-14)27-13-21(25)26-12-19(24)18-7-5-17(6-8-18)11-22-16(3)23/h4-10H,11-13H2,1-3H3,(H,22,23)