ethyl 6-tert-butyl-2-[2-(2-methylphenyl)ethanoylamino]-1-benzothiophene-3-carboxylate

Systemtic Name: ethyl 6-tert-butyl-2-[2-(2-methylphenyl)ethanoylamino]-1-benzothiophene-3-carboxylate Openeye Name: ethyl 6-tert-butyl-2-[[2-(o-tolyl)acetyl]amino]benzothiophene-3-carboxylate CAS Name: 6-tert-butyl-2-[[2-(2-methylphenyl)-1-oxoethyl]amino]-1-benzothiophene-3-carboxylic acid ethyl ester IUPAC Name: ethyl 6-tert-butyl-2-[[2-(2-methylphenyl)acetyl]amino]-1-benzothiophene-3-carboxylate Traditional Name: 6-tert-butyl-2-[[2-(o-tolyl)acetyl]amino]benzothiophene-3-carboxylic acid ethyl ester Formula: C24H27NO3S MolecularWeight: 409.54108

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(SC2=C1C=CC(=C2)C(C)(C)C)NC(=O)CC3=CC=CC=C3C

Isomeric SMILES

CCOC(=O)C1=C(SC2=C1C=CC(=C2)C(C)(C)C)NC(=O)CC3=CC=CC=C3C

InChI

InChI=1S/C24H27NO3S/c1-6-28-23(27)21-18-12-11-17(24(3,4)5)14-19(18)29-22(21)25-20(26)13-16-10-8-7-9-15(16)2/h7-12,14H,6,13H2,1-5H3,(H,25,26)