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

Systemtic Name: (3,3-dimethyl-2-oxidanylidene-butyl) 2-[2-[2-(1H-indol-3-yl)ethylamino]-2-oxidanylidene-ethyl]sulfanylbenzoate Openeye Name: (3,3-dimethyl-2-oxo-butyl) 2-[2-[2-(1H-indol-3-yl)ethylamino]-2-oxo-ethyl]sulfanylbenzoate CAS Name: 2-[[2-[2-(1H-indol-3-yl)ethylamino]-2-oxoethyl]thio]benzoic acid (3,3-dimethyl-2-oxobutyl) ester IUPAC Name: (3,3-dimethyl-2-oxobutyl) 2-[2-[2-(1H-indol-3-yl)ethylamino]-2-oxoethyl]sulfanylbenzoate Traditional Name: 2-[[2-[2-(1H-indol-3-yl)ethylamino]-2-keto-ethyl]thio]benzoic acid (2-keto-3,3-dimethyl-butyl) ester Formula: C25H28N2O4S MolecularWeight: 452.56582

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C(=O)COC(=O)C1=CC=CC=C1SCC(=O)NCCC2=CNC3=CC=CC=C32

Isomeric SMILES

CC(C)(C)C(=O)COC(=O)C1=CC=CC=C1SCC(=O)NCCC2=CNC3=CC=CC=C32

InChI

InChI=1S/C25H28N2O4S/c1-25(2,3)22(28)15-31-24(30)19-9-5-7-11-21(19)32-16-23(29)26-13-12-17-14-27-20-10-6-4-8-18(17)20/h4-11,14,27H,12-13,15-16H2,1-3H3,(H,26,29)