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

Systemtic Name: (3,3-dimethyl-2-oxidanylidene-butyl) 2-[2-oxidanylidene-2-(3-propan-2-yloxypropylamino)ethyl]sulfanylbenzoate Openeye Name: (3,3-dimethyl-2-oxo-butyl) 2-[2-(3-isopropoxypropylamino)-2-oxo-ethyl]sulfanylbenzoate CAS Name: 2-[[2-oxo-2-(3-propan-2-yloxypropylamino)ethyl]thio]benzoic acid (3,3-dimethyl-2-oxobutyl) ester IUPAC Name: (3,3-dimethyl-2-oxobutyl) 2-[2-oxo-2-(3-propan-2-yloxypropylamino)ethyl]sulfanylbenzoate Traditional Name: 2-[[2-(3-isopropoxypropylamino)-2-keto-ethyl]thio]benzoic acid (2-keto-3,3-dimethyl-butyl) ester Formula: C21H31NO5S MolecularWeight: 409.53954

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)OCCCNC(=O)CSC1=CC=CC=C1C(=O)OCC(=O)C(C)(C)C

Isomeric SMILES

CC(C)OCCCNC(=O)CSC1=CC=CC=C1C(=O)OCC(=O)C(C)(C)C

InChI

InChI=1S/C21H31NO5S/c1-15(2)26-12-8-11-22-19(24)14-28-17-10-7-6-9-16(17)20(25)27-13-18(23)21(3,4)5/h6-7,9-10,15H,8,11-14H2,1-5H3,(H,22,24)