[2-oxidanylidene-2-[(2-propan-2-ylphenyl)amino]ethyl] 3-(3,4-dimethylphenyl)sulfanylpropanoate

Systemtic Name: [2-oxidanylidene-2-[(2-propan-2-ylphenyl)amino]ethyl] 3-(3,4-dimethylphenyl)sulfanylpropanoate Openeye Name: [2-(2-isopropylanilino)-2-oxo-ethyl] 3-(3,4-dimethylphenyl)sulfanylpropanoate CAS Name: 3-[(3,4-dimethylphenyl)thio]propanoic acid [2-oxo-2-(2-propan-2-ylanilino)ethyl] ester IUPAC Name: [2-oxo-2-(2-propan-2-ylanilino)ethyl] 3-(3,4-dimethylphenyl)sulfanylpropanoate Traditional Name: 3-[(3,4-dimethylphenyl)thio]propionic acid [2-(2-isopropylanilino)-2-keto-ethyl] ester Formula: C22H27NO3S MolecularWeight: 385.51968

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)SCCC(=O)OCC(=O)NC2=CC=CC=C2C(C)C)C

Isomeric SMILES

CC1=C(C=C(C=C1)SCCC(=O)OCC(=O)NC2=CC=CC=C2C(C)C)C

InChI

InChI=1S/C22H27NO3S/c1-15(2)19-7-5-6-8-20(19)23-21(24)14-26-22(25)11-12-27-18-10-9-16(3)17(4)13-18/h5-10,13,15H,11-12,14H2,1-4H3,(H,23,24)