(E)-3-(1H-imidazol-5-yl)-2-[(4-methoxythiophen-2-yl)methyl]but-2-enoic acid

Systemtic Name: (E)-3-(1H-imidazol-5-yl)-2-[(4-methoxythiophen-2-yl)methyl]but-2-enoic acid Openeye Name: (E)-3-(1H-imidazol-5-yl)-2-[(4-methoxy-2-thienyl)methyl]but-2-enoic acid CAS Name: (E)-3-(1H-imidazol-5-yl)-2-[(4-methoxy-2-thiophenyl)methyl]-2-butenoic acid IUPAC Name: (E)-3-(1H-imidazol-5-yl)-2-[(4-methoxythiophen-2-yl)methyl]but-2-enoic acid Traditional Name: (E)-3-(1H-imidazol-5-yl)-2-[(4-methoxy-2-thienyl)methyl]but-2-enoic acid Formula: C13H14N2O3S MolecularWeight: 278.32686

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Descriptors Computed from Structure

Canonical SMILES:

CC(=C(CC1=CC(=CS1)OC)C(=O)O)C2=CN=CN2

Isomeric SMILES

C/C(=C(/CC1=CC(=CS1)OC)\C(=O)O)/C2=CN=CN2

InChI

InChI=1S/C13H14N2O3S/c1-8(12-5-14-7-15-12)11(13(16)17)4-10-3-9(18-2)6-19-10/h3,5-7H,4H2,1-2H3,(H,14,15)(H,16,17)/b11-8+