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

Systemtic Name: heptyl 2-methyl-5-(thiophen-2-ylsulfonylamino)-1-benzofuran-3-carboxylate Openeye Name: heptyl 2-methyl-5-(2-thienylsulfonylamino)benzofuran-3-carboxylate CAS Name: 2-methyl-5-(thiophen-2-ylsulfonylamino)-3-benzofurancarboxylic acid heptyl ester IUPAC Name: heptyl 2-methyl-5-(thiophen-2-ylsulfonylamino)-1-benzofuran-3-carboxylate Traditional Name: 2-methyl-5-(2-thienylsulfonylamino)benzofuran-3-carboxylic acid heptyl ester Formula: C21H25NO5S2 MolecularWeight: 435.5569

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H25NO5S2/c1-3-4-5-6-7-12-26-21(23)20-15(2)27-18-11-10-16(14-17(18)20)22-29(24,25)19-9-8-13-28-19/h8-11,13-14,22H,3-7,12H2,1-2H3