ethyl 6-tert-butyl-2-(3-phenylprop-2-ynoylamino)-1-benzothiophene-3-carboxylate

Systemtic Name: ethyl 6-tert-butyl-2-(3-phenylprop-2-ynoylamino)-1-benzothiophene-3-carboxylate Openeye Name: ethyl 6-tert-butyl-2-(3-phenylprop-2-ynoylamino)benzothiophene-3-carboxylate CAS Name: 6-tert-butyl-2-[(1-oxo-3-phenylprop-2-ynyl)amino]-1-benzothiophene-3-carboxylic acid ethyl ester IUPAC Name: ethyl 6-tert-butyl-2-(3-phenylprop-2-ynoylamino)-1-benzothiophene-3-carboxylate Traditional Name: 6-tert-butyl-2-[(3-phenylpropioloyl)amino]benzothiophene-3-carboxylic acid ethyl ester Formula: C24H23NO3S MolecularWeight: 405.50932

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(SC2=C1C=CC(=C2)C(C)(C)C)NC(=O)C#CC3=CC=CC=C3

Isomeric SMILES

CCOC(=O)C1=C(SC2=C1C=CC(=C2)C(C)(C)C)NC(=O)C#CC3=CC=CC=C3

InChI

InChI=1S/C24H23NO3S/c1-5-28-23(27)21-18-13-12-17(24(2,3)4)15-19(18)29-22(21)25-20(26)14-11-16-9-7-6-8-10-16/h6-10,12-13,15H,5H2,1-4H3,(H,25,26)