2-[1-(3,4-dimethoxyphenyl)imidazol-2-yl]sulfanylethanoic acid

Systemtic Name: 2-[1-(3,4-dimethoxyphenyl)imidazol-2-yl]sulfanylethanoic acid Openeye Name: 2-[1-(3,4-dimethoxyphenyl)imidazol-2-yl]sulfanylacetic acid CAS Name: 2-[[1-(3,4-dimethoxyphenyl)-2-imidazolyl]thio]acetic acid IUPAC Name: 2-[1-(3,4-dimethoxyphenyl)imidazol-2-yl]sulfanylacetic acid Traditional Name: 2-[[1-(3,4-dimethoxyphenyl)imidazol-2-yl]thio]acetic acid Formula: C13H14N2O4S MolecularWeight: 294.32626

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)N2C=CN=C2SCC(=O)O)OC

Isomeric SMILES

COC1=C(C=C(C=C1)N2C=CN=C2SCC(=O)O)OC

InChI

InChI=1S/C13H14N2O4S/c1-18-10-4-3-9(7-11(10)19-2)15-6-5-14-13(15)20-8-12(16)17/h3-7H,8H2,1-2H3,(H,16,17)