[2-oxidanylidene-2-(2-phenoxyethylamino)ethyl] 5-(2,2-dimethylpropanoylamino)-3-methyl-thiophene-2-carboxylate

Systemtic Name: [2-oxidanylidene-2-(2-phenoxyethylamino)ethyl] 5-(2,2-dimethylpropanoylamino)-3-methyl-thiophene-2-carboxylate Openeye Name: [2-oxo-2-(2-phenoxyethylamino)ethyl] 5-(2,2-dimethylpropanoylamino)-3-methyl-thiophene-2-carboxylate CAS Name: 5-[(2,2-dimethyl-1-oxopropyl)amino]-3-methyl-2-thiophenecarboxylic acid [2-oxo-2-(2-phenoxyethylamino)ethyl] ester IUPAC Name: [2-oxo-2-(2-phenoxyethylamino)ethyl] 5-(2,2-dimethylpropanoylamino)-3-methylthiophene-2-carboxylate Traditional Name: 3-methyl-5-(pivaloylamino)thiophene-2-carboxylic acid [2-keto-2-(2-phenoxyethylamino)ethyl] ester Formula: C21H26N2O5S MolecularWeight: 418.50654

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC(=C1)NC(=O)C(C)(C)C)C(=O)OCC(=O)NCCOC2=CC=CC=C2

Isomeric SMILES

CC1=C(SC(=C1)NC(=O)C(C)(C)C)C(=O)OCC(=O)NCCOC2=CC=CC=C2

InChI

InChI=1S/C21H26N2O5S/c1-14-12-17(23-20(26)21(2,3)4)29-18(14)19(25)28-13-16(24)22-10-11-27-15-8-6-5-7-9-15/h5-9,12H,10-11,13H2,1-4H3,(H,22,24)(H,23,26)