methyl 5-[[1-(2,5-dimethylphenyl)imidazol-2-yl]sulfanylmethyl]furan-2-carboxylate

Systemtic Name: methyl 5-[[1-(2,5-dimethylphenyl)imidazol-2-yl]sulfanylmethyl]furan-2-carboxylate Openeye Name: methyl 5-[[1-(2,5-dimethylphenyl)imidazol-2-yl]sulfanylmethyl]furan-2-carboxylate CAS Name: 5-[[[1-(2,5-dimethylphenyl)-2-imidazolyl]thio]methyl]-2-furancarboxylic acid methyl ester IUPAC Name: methyl 5-[[1-(2,5-dimethylphenyl)imidazol-2-yl]sulfanylmethyl]furan-2-carboxylate Traditional Name: 5-[[[1-(2,5-dimethylphenyl)imidazol-2-yl]thio]methyl]furan-2-carboxylic acid methyl ester Formula: C18H18N2O3S MolecularWeight: 342.41212

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)C)N2C=CN=C2SCC3=CC=C(O3)C(=O)OC

Isomeric SMILES

CC1=CC(=C(C=C1)C)N2C=CN=C2SCC3=CC=C(O3)C(=O)OC

InChI

InChI=1S/C18H18N2O3S/c1-12-4-5-13(2)15(10-12)20-9-8-19-18(20)24-11-14-6-7-16(23-14)17(21)22-3/h4-10H,11H2,1-3H3