[2-oxidanylidene-2-(2-thiophen-2-ylethylamino)ethyl] 2-oxidanyl-3,5-di(propan-2-yl)benzoate

Systemtic Name: [2-oxidanylidene-2-(2-thiophen-2-ylethylamino)ethyl] 2-oxidanyl-3,5-di(propan-2-yl)benzoate Openeye Name: [2-oxo-2-[2-(2-thienyl)ethylamino]ethyl] 2-hydroxy-3,5-diisopropyl-benzoate CAS Name: 2-hydroxy-3,5-di(propan-2-yl)benzoic acid [2-oxo-2-(2-thiophen-2-ylethylamino)ethyl] ester IUPAC Name: [2-oxo-2-(2-thiophen-2-ylethylamino)ethyl] 2-hydroxy-3,5-di(propan-2-yl)benzoate Traditional Name: 2-hydroxy-3,5-diisopropyl-benzoic acid [2-keto-2-[2-(2-thienyl)ethylamino]ethyl] ester Formula: C21H27NO4S MolecularWeight: 389.50838

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=CC(=C(C(=C1)C(=O)OCC(=O)NCCC2=CC=CS2)O)C(C)C

Isomeric SMILES

CC(C)C1=CC(=C(C(=C1)C(=O)OCC(=O)NCCC2=CC=CS2)O)C(C)C

InChI

InChI=1S/C21H27NO4S/c1-13(2)15-10-17(14(3)4)20(24)18(11-15)21(25)26-12-19(23)22-8-7-16-6-5-9-27-16/h5-6,9-11,13-14,24H,7-8,12H2,1-4H3,(H,22,23)