1H-imidazole; (E)-4-[1-(4-methylthiophen-3-yl)propoxy]-4-oxidanylidene-but-2-enoate

Systemtic Name: 1H-imidazole; (E)-4-[1-(4-methylthiophen-3-yl)propoxy]-4-oxidanylidene-but-2-enoate Openeye Name: imidazole; (E)-4-[1-(4-methyl-3-thienyl)propoxy]-4-oxo-but-2-enoate CAS Name: 1H-imidazole; (E)-4-[1-(4-methyl-3-thiophenyl)propoxy]-4-oxo-2-butenoate IUPAC Name: 1H-imidazole; (E)-4-[1-(4-methylthiophen-3-yl)propoxy]-4-oxobut-2-enoate Traditional Name: glyoxaline; (E)-4-keto-4-[1-(4-methyl-3-thienyl)propoxy]but-2-enoate Formula: C15H17N2O4S- MolecularWeight: 321.37148

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C1=CSC=C1C)OC(=O)C=CC(=O)[O-].C1=CN=CN1

Isomeric SMILES

CCC(C1=CSC=C1C)OC(=O)/C=C/C(=O)[O-].C1=CN=CN1

InChI

InChI=1S/C12H14O4S.C3H4N2/c1-3-10(9-7-17-6-8(9)2)16-12(15)5-4-11(13)14;1-2-5-3-4-1/h4-7,10H,3H2,1-2H3,(H,13,14);1-3H,(H,4,5)/p-1/b5-4+;