(3,3-dimethyl-2H-1-benzofuran-5-yl) ethanesulfonate; 1-phenyl-3-(1,2,3-thiadiazol-5-yl)urea

Systemtic Name: (3,3-dimethyl-2H-1-benzofuran-5-yl) ethanesulfonate; 1-phenyl-3-(1,2,3-thiadiazol-5-yl)urea Openeye Name: (3,3-dimethyl-2H-benzofuran-5-yl) ethanesulfonate; 1-phenyl-3-(thiadiazol-5-yl)urea CAS Name: ethanesulfonic acid (3,3-dimethyl-2H-benzofuran-5-yl) ester; 1-phenyl-3-(5-thiadiazolyl)urea IUPAC Name: (3,3-dimethyl-2H-1-benzofuran-5-yl) ethanesulfonate; 1-phenyl-3-(thiadiazol-5-yl)urea Traditional Name: ethanesulfonic acid (3,3-dimethylcoumaran-5-yl) ester; 1-phenyl-3-(thiadiazol-5-yl)urea Formula: C21H24N4O5S2 MolecularWeight: 476.56906

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCS(=O)(=O)OC1=CC2=C(C=C1)OCC2(C)C.C1=CC=C(C=C1)NC(=O)NC2=CN=NS2

Isomeric SMILES

CCS(=O)(=O)OC1=CC2=C(C=C1)OCC2(C)C.C1=CC=C(C=C1)NC(=O)NC2=CN=NS2

InChI

InChI=1S/C12H16O4S.C9H8N4OS/c1-4-17(13,14)16-9-5-6-11-10(7-9)12(2,3)8-15-11;14-9(12-8-6-10-13-15-8)11-7-4-2-1-3-5-7/h5-7H,4,8H2,1-3H3;1-6H,(H2,11,12,14)