[2-[(2,6-dimethylphenyl)amino]-2-oxidanylidene-ethyl] 3-(3,4-dimethylphenyl)sulfanylpropanoate

Systemtic Name: [2-[(2,6-dimethylphenyl)amino]-2-oxidanylidene-ethyl] 3-(3,4-dimethylphenyl)sulfanylpropanoate Openeye Name: [2-(2,6-dimethylanilino)-2-oxo-ethyl] 3-(3,4-dimethylphenyl)sulfanylpropanoate CAS Name: 3-[(3,4-dimethylphenyl)thio]propanoic acid [2-(2,6-dimethylanilino)-2-oxoethyl] ester IUPAC Name: [2-(2,6-dimethylanilino)-2-oxoethyl] 3-(3,4-dimethylphenyl)sulfanylpropanoate Traditional Name: 3-[(3,4-dimethylphenyl)thio]propionic acid [2-(2,6-dimethylanilino)-2-keto-ethyl] ester Formula: C21H25NO3S MolecularWeight: 371.4931

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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