[2-oxidanylidene-2-(1-thiophen-2-ylethylamino)ethyl] 2-oxidanyl-3,5-di(propan-2-yl)benzoate

Systemtic Name: [2-oxidanylidene-2-(1-thiophen-2-ylethylamino)ethyl] 2-oxidanyl-3,5-di(propan-2-yl)benzoate Openeye Name: [2-oxo-2-[1-(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-(1-thiophen-2-ylethylamino)ethyl] ester IUPAC Name: [2-oxo-2-(1-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-[1-(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)NC(C)C2=CC=CS2)O)C(C)C

Isomeric SMILES

CC(C)C1=CC(=C(C(=C1)C(=O)OCC(=O)NC(C)C2=CC=CS2)O)C(C)C

InChI

InChI=1S/C21H27NO4S/c1-12(2)15-9-16(13(3)4)20(24)17(10-15)21(25)26-11-19(23)22-14(5)18-7-6-8-27-18/h6-10,12-14,24H,11H2,1-5H3,(H,22,23)