methyl 2-tert-butyl-5-(thiophen-2-ylsulfonylamino)benzo[g][1]benzofuran-3-carboxylate

Systemtic Name: methyl 2-tert-butyl-5-(thiophen-2-ylsulfonylamino)benzo[g][1]benzofuran-3-carboxylate Openeye Name: methyl 2-tert-butyl-5-(2-thienylsulfonylamino)benzo[g]benzofuran-3-carboxylate CAS Name: 2-tert-butyl-5-(thiophen-2-ylsulfonylamino)-3-benzo[g]benzofurancarboxylic acid methyl ester IUPAC Name: methyl 2-tert-butyl-5-(thiophen-2-ylsulfonylamino)benzo[g][1]benzofuran-3-carboxylate Traditional Name: 2-tert-butyl-5-(2-thienylsulfonylamino)benzo[g]benzofuran-3-carboxylic acid methyl ester Formula: C22H21NO5S2 MolecularWeight: 443.53584

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=C(C2=C(O1)C3=CC=CC=C3C(=C2)NS(=O)(=O)C4=CC=CS4)C(=O)OC

Isomeric SMILES

CC(C)(C)C1=C(C2=C(O1)C3=CC=CC=C3C(=C2)NS(=O)(=O)C4=CC=CS4)C(=O)OC

InChI

InChI=1S/C22H21NO5S2/c1-22(2,3)20-18(21(24)27-4)15-12-16(23-30(25,26)17-10-7-11-29-17)13-8-5-6-9-14(13)19(15)28-20/h5-12,23H,1-4H3