(E)-4-(5-imidazol-1-yl-3-methyl-thiophen-2-yl)but-3-enoic acid

Systemtic Name: (E)-4-(5-imidazol-1-yl-3-methyl-thiophen-2-yl)but-3-enoic acid Openeye Name: (E)-4-(5-imidazol-1-yl-3-methyl-2-thienyl)but-3-enoic acid CAS Name: (E)-4-[5-(1-imidazolyl)-3-methyl-2-thiophenyl]-3-butenoic acid IUPAC Name: (E)-4-(5-imidazol-1-yl-3-methylthiophen-2-yl)but-3-enoic acid Traditional Name: (E)-4-(5-imidazol-1-yl-3-methyl-2-thienyl)but-3-enoic acid Formula: C12H12N2O2S MolecularWeight: 248.30088

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC(=C1)N2C=CN=C2)C=CCC(=O)O

Isomeric SMILES

CC1=C(SC(=C1)N2C=CN=C2)/C=C/CC(=O)O

InChI

InChI=1S/C12H12N2O2S/c1-9-7-11(14-6-5-13-8-14)17-10(9)3-2-4-12(15)16/h2-3,5-8H,4H2,1H3,(H,15,16)/b3-2+