(3,3-dimethyl-2-oxidanylidene-butyl) 2-[2-[2-(cyclohexen-1-yl)ethylamino]-2-oxidanylidene-ethyl]sulfanylbenzoate

Systemtic Name: (3,3-dimethyl-2-oxidanylidene-butyl) 2-[2-[2-(cyclohexen-1-yl)ethylamino]-2-oxidanylidene-ethyl]sulfanylbenzoate Openeye Name: (3,3-dimethyl-2-oxo-butyl) 2-[2-[2-(cyclohexen-1-yl)ethylamino]-2-oxo-ethyl]sulfanylbenzoate CAS Name: 2-[[2-[2-(1-cyclohexenyl)ethylamino]-2-oxoethyl]thio]benzoic acid (3,3-dimethyl-2-oxobutyl) ester IUPAC Name: (3,3-dimethyl-2-oxobutyl) 2-[2-[2-(cyclohexen-1-yl)ethylamino]-2-oxoethyl]sulfanylbenzoate Traditional Name: 2-[[2-[2-(cyclohexen-1-yl)ethylamino]-2-keto-ethyl]thio]benzoic acid (2-keto-3,3-dimethyl-butyl) ester Formula: C23H31NO4S MolecularWeight: 417.56154

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C(=O)COC(=O)C1=CC=CC=C1SCC(=O)NCCC2=CCCCC2

Isomeric SMILES

CC(C)(C)C(=O)COC(=O)C1=CC=CC=C1SCC(=O)NCCC2=CCCCC2

InChI

InChI=1S/C23H31NO4S/c1-23(2,3)20(25)15-28-22(27)18-11-7-8-12-19(18)29-16-21(26)24-14-13-17-9-5-4-6-10-17/h7-9,11-12H,4-6,10,13-16H2,1-3H3,(H,24,26)