(3,3-dimethyl-2-oxidanylidene-butyl) 2-[2-oxidanylidene-2-[(4-pyrrolidin-1-ylphenyl)amino]ethyl]sulfanylbenzoate

Systemtic Name: (3,3-dimethyl-2-oxidanylidene-butyl) 2-[2-oxidanylidene-2-[(4-pyrrolidin-1-ylphenyl)amino]ethyl]sulfanylbenzoate Openeye Name: (3,3-dimethyl-2-oxo-butyl) 2-[2-oxo-2-(4-pyrrolidin-1-ylanilino)ethyl]sulfanylbenzoate CAS Name: 2-[[2-oxo-2-[4-(1-pyrrolidinyl)anilino]ethyl]thio]benzoic acid (3,3-dimethyl-2-oxobutyl) ester IUPAC Name: (3,3-dimethyl-2-oxobutyl) 2-[2-oxo-2-(4-pyrrolidin-1-ylanilino)ethyl]sulfanylbenzoate Traditional Name: 2-[[2-keto-2-(4-pyrrolidinoanilino)ethyl]thio]benzoic acid (2-keto-3,3-dimethyl-butyl) ester Formula: C25H30N2O4S MolecularWeight: 454.5817

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C(=O)COC(=O)C1=CC=CC=C1SCC(=O)NC2=CC=C(C=C2)N3CCCC3

Isomeric SMILES

CC(C)(C)C(=O)COC(=O)C1=CC=CC=C1SCC(=O)NC2=CC=C(C=C2)N3CCCC3

InChI

InChI=1S/C25H30N2O4S/c1-25(2,3)22(28)16-31-24(30)20-8-4-5-9-21(20)32-17-23(29)26-18-10-12-19(13-11-18)27-14-6-7-15-27/h4-5,8-13H,6-7,14-17H2,1-3H3,(H,26,29)