[2-(tert-butylamino)-2-oxidanylidene-ethyl] 3-(4-methylphenyl)sulfanylpropanoate

Systemtic Name: [2-(tert-butylamino)-2-oxidanylidene-ethyl] 3-(4-methylphenyl)sulfanylpropanoate Openeye Name: [2-(tert-butylamino)-2-oxo-ethyl] 3-(p-tolylsulfanyl)propanoate CAS Name: 3-[(4-methylphenyl)thio]propanoic acid [2-(tert-butylamino)-2-oxoethyl] ester IUPAC Name: [2-(tert-butylamino)-2-oxoethyl] 3-(4-methylphenyl)sulfanylpropanoate Traditional Name: 3-(p-tolylthio)propionic 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)SCCC(=O)OCC(=O)NC(C)(C)C

Isomeric SMILES

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

InChI

InChI=1S/C16H23NO3S/c1-12-5-7-13(8-6-12)21-10-9-15(19)20-11-14(18)17-16(2,3)4/h5-8H,9-11H2,1-4H3,(H,17,18)