butyl 2-(3,3-diphenylpropanoylamino)-1-benzothiophene-3-carboxylate

Systemtic Name: butyl 2-(3,3-diphenylpropanoylamino)-1-benzothiophene-3-carboxylate Openeye Name: butyl 2-(3,3-diphenylpropanoylamino)benzothiophene-3-carboxylate CAS Name: 2-[(1-oxo-3,3-diphenylpropyl)amino]-1-benzothiophene-3-carboxylic acid butyl ester IUPAC Name: butyl 2-(3,3-diphenylpropanoylamino)-1-benzothiophene-3-carboxylate Traditional Name: 2-(3,3-diphenylpropanoylamino)benzothiophene-3-carboxylic acid butyl ester Formula: C28H27NO3S MolecularWeight: 457.58388

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC(=O)C1=C(SC2=CC=CC=C21)NC(=O)CC(C3=CC=CC=C3)C4=CC=CC=C4

Isomeric SMILES

CCCCOC(=O)C1=C(SC2=CC=CC=C21)NC(=O)CC(C3=CC=CC=C3)C4=CC=CC=C4

InChI

InChI=1S/C28H27NO3S/c1-2-3-18-32-28(31)26-22-16-10-11-17-24(22)33-27(26)29-25(30)19-23(20-12-6-4-7-13-20)21-14-8-5-9-15-21/h4-17,23H,2-3,18-19H2,1H3,(H,29,30)