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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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