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

Systemtic Name: [2-oxidanylidene-2-(propan-2-ylamino)ethyl] 2-(2,5-dimethylphenyl)sulfanylethanoate Openeye Name: [2-(isopropylamino)-2-oxo-ethyl] 2-(2,5-dimethylphenyl)sulfanylacetate CAS Name: 2-[(2,5-dimethylphenyl)thio]acetic acid [2-oxo-2-(propan-2-ylamino)ethyl] ester IUPAC Name: [2-oxo-2-(propan-2-ylamino)ethyl] 2-(2,5-dimethylphenyl)sulfanylacetate Traditional Name: 2-[(2,5-dimethylphenyl)thio]acetic acid [2-(isopropylamino)-2-keto-ethyl] ester Formula: C15H21NO3S MolecularWeight: 295.39714

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)C)SCC(=O)OCC(=O)NC(C)C

Isomeric SMILES

CC1=CC(=C(C=C1)C)SCC(=O)OCC(=O)NC(C)C

InChI

InChI=1S/C15H21NO3S/c1-10(2)16-14(17)8-19-15(18)9-20-13-7-11(3)5-6-12(13)4/h5-7,10H,8-9H2,1-4H3,(H,16,17)