[2-oxidanylidene-2-[(2-propan-2-ylphenyl)amino]ethyl] 2-(2,5-dimethylphenyl)sulfanylethanoate

Systemtic Name: [2-oxidanylidene-2-[(2-propan-2-ylphenyl)amino]ethyl] 2-(2,5-dimethylphenyl)sulfanylethanoate Openeye Name: [2-(2-isopropylanilino)-2-oxo-ethyl] 2-(2,5-dimethylphenyl)sulfanylacetate CAS Name: 2-[(2,5-dimethylphenyl)thio]acetic acid [2-oxo-2-(2-propan-2-ylanilino)ethyl] ester IUPAC Name: [2-oxo-2-(2-propan-2-ylanilino)ethyl] 2-(2,5-dimethylphenyl)sulfanylacetate Traditional Name: 2-[(2,5-dimethylphenyl)thio]acetic acid [2-(2-isopropylanilino)-2-keto-ethyl] ester Formula: C21H25NO3S MolecularWeight: 371.4931

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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