[2-(2-methylbutan-2-ylamino)-2-oxidanylidene-ethyl] 4-(1,3-dithiolan-2-yl)benzoate

Systemtic Name: [2-(2-methylbutan-2-ylamino)-2-oxidanylidene-ethyl] 4-(1,3-dithiolan-2-yl)benzoate Openeye Name: [2-(1,1-dimethylpropylamino)-2-oxo-ethyl] 4-(1,3-dithiolan-2-yl)benzoate CAS Name: 4-(1,3-dithiolan-2-yl)benzoic acid [2-(2-methylbutan-2-ylamino)-2-oxoethyl] ester IUPAC Name: [2-(2-methylbutan-2-ylamino)-2-oxoethyl] 4-(1,3-dithiolan-2-yl)benzoate Traditional Name: 4-(1,3-dithiolan-2-yl)benzoic acid [2-(tert-amylamino)-2-keto-ethyl] ester Formula: C17H23NO3S2 MolecularWeight: 353.49942

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)(C)NC(=O)COC(=O)C1=CC=C(C=C1)C2SCCS2

Isomeric SMILES

CCC(C)(C)NC(=O)COC(=O)C1=CC=C(C=C1)C2SCCS2

InChI

InChI=1S/C17H23NO3S2/c1-4-17(2,3)18-14(19)11-21-15(20)12-5-7-13(8-6-12)16-22-9-10-23-16/h5-8,16H,4,9-11H2,1-3H3,(H,18,19)