[2-(tert-butylamino)-2-oxidanylidene-ethyl] 2-(2,5-dimethylphenyl)sulfanylethanoate

Systemtic Name: [2-(tert-butylamino)-2-oxidanylidene-ethyl] 2-(2,5-dimethylphenyl)sulfanylethanoate Openeye Name: [2-(tert-butylamino)-2-oxo-ethyl] 2-(2,5-dimethylphenyl)sulfanylacetate CAS Name: 2-[(2,5-dimethylphenyl)thio]acetic acid [2-(tert-butylamino)-2-oxoethyl] ester IUPAC Name: [2-(tert-butylamino)-2-oxoethyl] 2-(2,5-dimethylphenyl)sulfanylacetate Traditional Name: 2-[(2,5-dimethylphenyl)thio]acetic acid [2-(tert-butylamino)-2-keto-ethyl] ester Formula: C16H23NO3S MolecularWeight: 309.42372

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H23NO3S/c1-11-6-7-12(2)13(8-11)21-10-15(19)20-9-14(18)17-16(3,4)5/h6-8H,9-10H2,1-5H3,(H,17,18)