octyl 2-methyl-5-(thiophen-2-ylsulfonylamino)-1-benzofuran-3-carboxylate

Systemtic Name: octyl 2-methyl-5-(thiophen-2-ylsulfonylamino)-1-benzofuran-3-carboxylate Openeye Name: octyl 2-methyl-5-(2-thienylsulfonylamino)benzofuran-3-carboxylate CAS Name: 2-methyl-5-(thiophen-2-ylsulfonylamino)-3-benzofurancarboxylic acid octyl ester IUPAC Name: octyl 2-methyl-5-(thiophen-2-ylsulfonylamino)-1-benzofuran-3-carboxylate Traditional Name: 2-methyl-5-(2-thienylsulfonylamino)benzofuran-3-carboxylic acid octyl ester Formula: C22H27NO5S2 MolecularWeight: 449.58348

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCOC(=O)C1=C(OC2=C1C=C(C=C2)NS(=O)(=O)C3=CC=CS3)C

Isomeric SMILES

CCCCCCCCOC(=O)C1=C(OC2=C1C=C(C=C2)NS(=O)(=O)C3=CC=CS3)C

InChI

InChI=1S/C22H27NO5S2/c1-3-4-5-6-7-8-13-27-22(24)21-16(2)28-19-12-11-17(15-18(19)21)23-30(25,26)20-10-9-14-29-20/h9-12,14-15,23H,3-8,13H2,1-2H3