O4-[(E)-3-[1-(dimethylsulfamoyl)imidazol-4-yl]prop-2-enyl] O1-ethyl (E)-but-2-enedioate

Systemtic Name: O4-[(E)-3-[1-(dimethylsulfamoyl)imidazol-4-yl]prop-2-enyl] O1-ethyl (E)-but-2-enedioate Openeye Name: O4-[(E)-3-[1-(dimethylsulfamoyl)imidazol-4-yl]allyl] O1-ethyl (E)-but-2-enedioate CAS Name: (E)-2-butenedioic acid O4-[(E)-3-[1-(dimethylsulfamoyl)-4-imidazolyl]prop-2-enyl] ester O1-ethyl ester IUPAC Name: 4-O-[(E)-3-[1-(dimethylsulfamoyl)imidazol-4-yl]prop-2-enyl] 1-O-ethyl (E)-but-2-enedioate Traditional Name: (E)-but-2-enedioic acid O4-[(E)-3-[1-(dimethylsulfamoyl)imidazol-4-yl]allyl] ester O1-ethyl ester Formula: C14H19N3O6S MolecularWeight: 357.38216

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C=CC(=O)OCC=CC1=CN(C=N1)S(=O)(=O)N(C)C

Isomeric SMILES

CCOC(=O)/C=C/C(=O)OC/C=C/C1=CN(C=N1)S(=O)(=O)N(C)C

InChI

InChI=1S/C14H19N3O6S/c1-4-22-13(18)7-8-14(19)23-9-5-6-12-10-17(11-15-12)24(20,21)16(2)3/h5-8,10-11H,4,9H2,1-3H3/b6-5+,8-7+