(4-tert-butyl-2,6-dimethyl-phenyl)methyl 2-acetamido-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate

Systemtic Name: (4-tert-butyl-2,6-dimethyl-phenyl)methyl 2-acetamido-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Openeye Name: (4-tert-butyl-2,6-dimethyl-phenyl)methyl 2-acetamido-4,5,6,7-tetrahydrobenzothiophene-3-carboxylate CAS Name: 2-acetamido-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylic acid (4-tert-butyl-2,6-dimethylphenyl)methyl ester IUPAC Name: (4-tert-butyl-2,6-dimethylphenyl)methyl 2-acetamido-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Traditional Name: 2-acetamido-4,5,6,7-tetrahydrobenzothiophene-3-carboxylic acid (4-tert-butyl-2,6-dimethyl-benzyl) ester Formula: C24H31NO3S MolecularWeight: 413.57284

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1COC(=O)C2=C(SC3=C2CCCC3)NC(=O)C)C)C(C)(C)C

Isomeric SMILES

CC1=CC(=CC(=C1COC(=O)C2=C(SC3=C2CCCC3)NC(=O)C)C)C(C)(C)C

InChI

InChI=1S/C24H31NO3S/c1-14-11-17(24(4,5)6)12-15(2)19(14)13-28-23(27)21-18-9-7-8-10-20(18)29-22(21)25-16(3)26/h11-12H,7-10,13H2,1-6H3,(H,25,26)