(2E)-2-[2-(imidazol-1-ylmethyl)-5,7-dihydro-4H-1-benzothiophen-6-ylidene]ethanoic acid

Systemtic Name: (2E)-2-[2-(imidazol-1-ylmethyl)-5,7-dihydro-4H-1-benzothiophen-6-ylidene]ethanoic acid Openeye Name: (2E)-2-[2-(imidazol-1-ylmethyl)-5,7-dihydro-4H-benzothiophen-6-ylidene]acetic acid CAS Name: (2E)-2-[2-(1-imidazolylmethyl)-5,7-dihydro-4H-1-benzothiophen-6-ylidene]acetic acid IUPAC Name: (2E)-2-[2-(imidazol-1-ylmethyl)-5,7-dihydro-4H-1-benzothiophen-6-ylidene]acetic acid Traditional Name: (2E)-2-[2-(imidazol-1-ylmethyl)-5,7-dihydro-4H-benzothiophen-6-ylidene]acetic acid Formula: C14H14N2O2S MolecularWeight: 274.33816

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Descriptors Computed from Structure

Canonical SMILES:

C1CC2=C(CC1=CC(=O)O)SC(=C2)CN3C=CN=C3

Isomeric SMILES

C\1CC2=C(C/C1=C/C(=O)O)SC(=C2)CN3C=CN=C3

InChI

InChI=1S/C14H14N2O2S/c17-14(18)6-10-1-2-11-7-12(19-13(11)5-10)8-16-4-3-15-9-16/h3-4,6-7,9H,1-2,5,8H2,(H,17,18)/b10-6+