dimethyl 2-[[1-(4-methylphenyl)sulfonylimidazol-4-yl]methylidene]propanedioate

Systemtic Name: dimethyl 2-[[1-(4-methylphenyl)sulfonylimidazol-4-yl]methylidene]propanedioate Openeye Name: dimethyl 2-[[1-(p-tolylsulfonyl)imidazol-4-yl]methylene]propanedioate CAS Name: 2-[[1-(4-methylphenyl)sulfonyl-4-imidazolyl]methylidene]propanedioic acid dimethyl ester IUPAC Name: dimethyl 2-[[1-(4-methylphenyl)sulfonylimidazol-4-yl]methylidene]propanedioate Traditional Name: 2-[(1-tosylimidazol-4-yl)methylene]malonic acid dimethyl ester Formula: C16H16N2O6S MolecularWeight: 364.37304

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)N2C=C(N=C2)C=C(C(=O)OC)C(=O)OC

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)N2C=C(N=C2)C=C(C(=O)OC)C(=O)OC

InChI

InChI=1S/C16H16N2O6S/c1-11-4-6-13(7-5-11)25(21,22)18-9-12(17-10-18)8-14(15(19)23-2)16(20)24-3/h4-10H,1-3H3