(4-tert-butyl-2,6-dimethyl-phenyl)methyl 2-acetamido-4,5-dimethyl-thiophene-3-carboxylate

Systemtic Name: (4-tert-butyl-2,6-dimethyl-phenyl)methyl 2-acetamido-4,5-dimethyl-thiophene-3-carboxylate Openeye Name: (4-tert-butyl-2,6-dimethyl-phenyl)methyl 2-acetamido-4,5-dimethyl-thiophene-3-carboxylate CAS Name: 2-acetamido-4,5-dimethyl-3-thiophenecarboxylic acid (4-tert-butyl-2,6-dimethylphenyl)methyl ester IUPAC Name: (4-tert-butyl-2,6-dimethylphenyl)methyl 2-acetamido-4,5-dimethylthiophene-3-carboxylate Traditional Name: 2-acetamido-4,5-dimethyl-thiophene-3-carboxylic acid (4-tert-butyl-2,6-dimethyl-benzyl) ester Formula: C22H29NO3S MolecularWeight: 387.53556

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1COC(=O)C2=C(SC(=C2C)C)NC(=O)C)C)C(C)(C)C

Isomeric SMILES

CC1=CC(=CC(=C1COC(=O)C2=C(SC(=C2C)C)NC(=O)C)C)C(C)(C)C

InChI

InChI=1S/C22H29NO3S/c1-12-9-17(22(6,7)8)10-13(2)18(12)11-26-21(25)19-14(3)15(4)27-20(19)23-16(5)24/h9-10H,11H2,1-8H3,(H,23,24)