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

Systemtic Name: (3,3-dimethyl-2-oxidanylidene-butyl) 2-[2-oxidanylidene-2-[(2-propoxyphenyl)amino]ethyl]sulfanylbenzoate Openeye Name: (3,3-dimethyl-2-oxo-butyl) 2-[2-oxo-2-(2-propoxyanilino)ethyl]sulfanylbenzoate CAS Name: 2-[[2-oxo-2-(2-propoxyanilino)ethyl]thio]benzoic acid (3,3-dimethyl-2-oxobutyl) ester IUPAC Name: (3,3-dimethyl-2-oxobutyl) 2-[2-oxo-2-(2-propoxyanilino)ethyl]sulfanylbenzoate Traditional Name: 2-[[2-keto-2-(2-propoxyanilino)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:

CCCOC1=CC=CC=C1NC(=O)CSC2=CC=CC=C2C(=O)OCC(=O)C(C)(C)C

Isomeric SMILES

CCCOC1=CC=CC=C1NC(=O)CSC2=CC=CC=C2C(=O)OCC(=O)C(C)(C)C

InChI

InChI=1S/C24H29NO5S/c1-5-14-29-19-12-8-7-11-18(19)25-22(27)16-31-20-13-9-6-10-17(20)23(28)30-15-21(26)24(2,3)4/h6-13H,5,14-16H2,1-4H3,(H,25,27)