ethyl 6-tert-butyl-2-[(3-phenoxyphenyl)carbonylamino]-1-benzothiophene-3-carboxylate

Systemtic Name: ethyl 6-tert-butyl-2-[(3-phenoxyphenyl)carbonylamino]-1-benzothiophene-3-carboxylate Openeye Name: ethyl 6-tert-butyl-2-[(3-phenoxybenzoyl)amino]benzothiophene-3-carboxylate CAS Name: 6-tert-butyl-2-[[oxo-(3-phenoxyphenyl)methyl]amino]-1-benzothiophene-3-carboxylic acid ethyl ester IUPAC Name: ethyl 6-tert-butyl-2-[(3-phenoxybenzoyl)amino]-1-benzothiophene-3-carboxylate Traditional Name: 6-tert-butyl-2-[(3-phenoxybenzoyl)amino]benzothiophene-3-carboxylic acid ethyl ester Formula: C28H27NO4S MolecularWeight: 473.58328

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(SC2=C1C=CC(=C2)C(C)(C)C)NC(=O)C3=CC(=CC=C3)OC4=CC=CC=C4

Isomeric SMILES

CCOC(=O)C1=C(SC2=C1C=CC(=C2)C(C)(C)C)NC(=O)C3=CC(=CC=C3)OC4=CC=CC=C4

InChI

InChI=1S/C28H27NO4S/c1-5-32-27(31)24-22-15-14-19(28(2,3)4)17-23(22)34-26(24)29-25(30)18-10-9-13-21(16-18)33-20-11-7-6-8-12-20/h6-17H,5H2,1-4H3,(H,29,30)