ethyl 3-bromanyl-5-[(4-tert-butylphenyl)sulfonylamino]-1-benzothiophene-2-carboxylate

Systemtic Name: ethyl 3-bromanyl-5-[(4-tert-butylphenyl)sulfonylamino]-1-benzothiophene-2-carboxylate Openeye Name: ethyl 3-bromo-5-[(4-tert-butylphenyl)sulfonylamino]benzothiophene-2-carboxylate CAS Name: 3-bromo-5-[(4-tert-butylphenyl)sulfonylamino]-1-benzothiophene-2-carboxylic acid ethyl ester IUPAC Name: ethyl 3-bromo-5-[(4-tert-butylphenyl)sulfonylamino]-1-benzothiophene-2-carboxylate Traditional Name: 3-bromo-5-[(4-tert-butylphenyl)sulfonylamino]benzothiophene-2-carboxylic acid ethyl ester Formula: C21H22BrNO4S2 MolecularWeight: 496.43768

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(C2=C(S1)C=CC(=C2)NS(=O)(=O)C3=CC=C(C=C3)C(C)(C)C)Br

Isomeric SMILES

CCOC(=O)C1=C(C2=C(S1)C=CC(=C2)NS(=O)(=O)C3=CC=C(C=C3)C(C)(C)C)Br

InChI

InChI=1S/C21H22BrNO4S2/c1-5-27-20(24)19-18(22)16-12-14(8-11-17(16)28-19)23-29(25,26)15-9-6-13(7-10-15)21(2,3)4/h6-12,23H,5H2,1-4H3