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

Systemtic Name: (3,3-dimethyl-2-oxidanylidene-butyl) 2-[2-[2-(2-methoxyphenyl)ethylamino]-2-oxidanylidene-ethyl]sulfanylbenzoate Openeye Name: (3,3-dimethyl-2-oxo-butyl) 2-[2-[2-(2-methoxyphenyl)ethylamino]-2-oxo-ethyl]sulfanylbenzoate CAS Name: 2-[[2-[2-(2-methoxyphenyl)ethylamino]-2-oxoethyl]thio]benzoic acid (3,3-dimethyl-2-oxobutyl) ester IUPAC Name: (3,3-dimethyl-2-oxobutyl) 2-[2-[2-(2-methoxyphenyl)ethylamino]-2-oxoethyl]sulfanylbenzoate Traditional Name: 2-[[2-keto-2-[2-(2-methoxyphenyl)ethylamino]ethyl]thio]benzoic acid (2-keto-3,3-dimethyl-butyl) ester Formula: C24H29NO5S MolecularWeight: 443.55576

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C(=O)COC(=O)C1=CC=CC=C1SCC(=O)NCCC2=CC=CC=C2OC

Isomeric SMILES

CC(C)(C)C(=O)COC(=O)C1=CC=CC=C1SCC(=O)NCCC2=CC=CC=C2OC

InChI

InChI=1S/C24H29NO5S/c1-24(2,3)21(26)15-30-23(28)18-10-6-8-12-20(18)31-16-22(27)25-14-13-17-9-5-7-11-19(17)29-4/h5-12H,13-16H2,1-4H3,(H,25,27)