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

Systemtic Name: [2-[(2,4-dimethylphenyl)amino]-2-oxidanylidene-ethyl] 3-(3,4-dimethylphenyl)sulfanylpropanoate Openeye Name: [2-(2,4-dimethylanilino)-2-oxo-ethyl] 3-(3,4-dimethylphenyl)sulfanylpropanoate CAS Name: 3-[(3,4-dimethylphenyl)thio]propanoic acid [2-(2,4-dimethylanilino)-2-oxoethyl] ester IUPAC Name: [2-(2,4-dimethylanilino)-2-oxoethyl] 3-(3,4-dimethylphenyl)sulfanylpropanoate Traditional Name: 3-[(3,4-dimethylphenyl)thio]propionic acid [2-(2,4-dimethylanilino)-2-keto-ethyl] ester Formula: C21H25NO3S MolecularWeight: 371.4931

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)NC(=O)COC(=O)CCSC2=CC(=C(C=C2)C)C)C

Isomeric SMILES

CC1=CC(=C(C=C1)NC(=O)COC(=O)CCSC2=CC(=C(C=C2)C)C)C

InChI

InChI=1S/C21H25NO3S/c1-14-5-8-19(17(4)11-14)22-20(23)13-25-21(24)9-10-26-18-7-6-15(2)16(3)12-18/h5-8,11-12H,9-10,13H2,1-4H3,(H,22,23)