(3,3-dimethyl-2-oxidanylidene-butyl) 2-[2-(methylamino)-2-oxidanylidene-ethyl]sulfanylbenzoate

Systemtic Name: (3,3-dimethyl-2-oxidanylidene-butyl) 2-[2-(methylamino)-2-oxidanylidene-ethyl]sulfanylbenzoate Openeye Name: (3,3-dimethyl-2-oxo-butyl) 2-[2-(methylamino)-2-oxo-ethyl]sulfanylbenzoate CAS Name: 2-[[2-(methylamino)-2-oxoethyl]thio]benzoic acid (3,3-dimethyl-2-oxobutyl) ester IUPAC Name: (3,3-dimethyl-2-oxobutyl) 2-[2-(methylamino)-2-oxoethyl]sulfanylbenzoate Traditional Name: 2-[[2-keto-2-(methylamino)ethyl]thio]benzoic acid (2-keto-3,3-dimethyl-butyl) ester Formula: C16H21NO4S MolecularWeight: 323.40724

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C(=O)COC(=O)C1=CC=CC=C1SCC(=O)NC

Isomeric SMILES

CC(C)(C)C(=O)COC(=O)C1=CC=CC=C1SCC(=O)NC

InChI

InChI=1S/C16H21NO4S/c1-16(2,3)13(18)9-21-15(20)11-7-5-6-8-12(11)22-10-14(19)17-4/h5-8H,9-10H2,1-4H3,(H,17,19)