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

Systemtic Name: (3,3-dimethyl-2-oxidanylidene-butyl) 2-[2-oxidanylidene-2-(3-phenylpropylamino)ethyl]sulfanylbenzoate Openeye Name: (3,3-dimethyl-2-oxo-butyl) 2-[2-oxo-2-(3-phenylpropylamino)ethyl]sulfanylbenzoate CAS Name: 2-[[2-oxo-2-(3-phenylpropylamino)ethyl]thio]benzoic acid (3,3-dimethyl-2-oxobutyl) ester IUPAC Name: (3,3-dimethyl-2-oxobutyl) 2-[2-oxo-2-(3-phenylpropylamino)ethyl]sulfanylbenzoate Traditional Name: 2-[[2-keto-2-(3-phenylpropylamino)ethyl]thio]benzoic acid (2-keto-3,3-dimethyl-butyl) ester Formula: C24H29NO4S MolecularWeight: 427.55636

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C(=O)COC(=O)C1=CC=CC=C1SCC(=O)NCCCC2=CC=CC=C2

Isomeric SMILES

CC(C)(C)C(=O)COC(=O)C1=CC=CC=C1SCC(=O)NCCCC2=CC=CC=C2

InChI

InChI=1S/C24H29NO4S/c1-24(2,3)21(26)16-29-23(28)19-13-7-8-14-20(19)30-17-22(27)25-15-9-12-18-10-5-4-6-11-18/h4-8,10-11,13-14H,9,12,15-17H2,1-3H3,(H,25,27)