methyl (E)-3-[4-(2,1,3-benzothiadiazol-4-ylsulfonyloxy)-3-methoxy-phenyl]prop-2-enoate

Systemtic Name: methyl (E)-3-[4-(2,1,3-benzothiadiazol-4-ylsulfonyloxy)-3-methoxy-phenyl]prop-2-enoate Openeye Name: methyl (E)-3-[4-(2,1,3-benzothiadiazol-4-ylsulfonyloxy)-3-methoxy-phenyl]prop-2-enoate CAS Name: (E)-3-[4-(2,1,3-benzothiadiazol-4-ylsulfonyloxy)-3-methoxyphenyl]-2-propenoic acid methyl ester IUPAC Name: methyl (E)-3-[4-(2,1,3-benzothiadiazol-4-ylsulfonyloxy)-3-methoxyphenyl]prop-2-enoate Traditional Name: (E)-3-(3-methoxy-4-piazthiol-4-ylsulfonyloxy-phenyl)acrylic acid methyl ester Formula: C17H14N2O6S2 MolecularWeight: 406.43286

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=CC(=C1)C=CC(=O)OC)OS(=O)(=O)C2=CC=CC3=NSN=C32

Isomeric SMILES

COC1=C(C=CC(=C1)/C=C/C(=O)OC)OS(=O)(=O)C2=CC=CC3=NSN=C32

InChI

InChI=1S/C17H14N2O6S2/c1-23-14-10-11(7-9-16(20)24-2)6-8-13(14)25-27(21,22)15-5-3-4-12-17(15)19-26-18-12/h3-10H,1-2H3/b9-7+