(2,2-dimethyl-3H-1-benzofuran-7-yl) 5-(acetamidomethyl)thiophene-2-sulfonate

Systemtic Name: (2,2-dimethyl-3H-1-benzofuran-7-yl) 5-(acetamidomethyl)thiophene-2-sulfonate Openeye Name: (2,2-dimethyl-3H-benzofuran-7-yl) 5-(acetamidomethyl)thiophene-2-sulfonate CAS Name: 5-(acetamidomethyl)-2-thiophenesulfonic acid (2,2-dimethyl-3H-benzofuran-7-yl) ester IUPAC Name: (2,2-dimethyl-3H-1-benzofuran-7-yl) 5-(acetamidomethyl)thiophene-2-sulfonate Traditional Name: 5-(acetamidomethyl)thiophene-2-sulfonic acid (2,2-dimethylcoumaran-7-yl) ester Formula: C17H19NO5S2 MolecularWeight: 381.46646

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NCC1=CC=C(S1)S(=O)(=O)OC2=CC=CC3=C2OC(C3)(C)C

Isomeric SMILES

CC(=O)NCC1=CC=C(S1)S(=O)(=O)OC2=CC=CC3=C2OC(C3)(C)C

InChI

InChI=1S/C17H19NO5S2/c1-11(19)18-10-13-7-8-15(24-13)25(20,21)23-14-6-4-5-12-9-17(2,3)22-16(12)14/h4-8H,9-10H2,1-3H3,(H,18,19)