2-methyl-5-[(1-methylimidazol-2-yl)sulfanylmethyl]furan-3-carboxylic acid

Systemtic Name: 2-methyl-5-[(1-methylimidazol-2-yl)sulfanylmethyl]furan-3-carboxylic acid Openeye Name: 2-methyl-5-[(1-methylimidazol-2-yl)sulfanylmethyl]furan-3-carboxylic acid CAS Name: 2-methyl-5-[[(1-methyl-2-imidazolyl)thio]methyl]-3-furancarboxylic acid IUPAC Name: 2-methyl-5-[(1-methylimidazol-2-yl)sulfanylmethyl]furan-3-carboxylic acid Traditional Name: 2-methyl-5-[[(1-methylimidazol-2-yl)thio]methyl]-3-furoic acid Formula: C11H12N2O3S MolecularWeight: 252.28958

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(O1)CSC2=NC=CN2C)C(=O)O

Isomeric SMILES

CC1=C(C=C(O1)CSC2=NC=CN2C)C(=O)O

InChI

InChI=1S/C11H12N2O3S/c1-7-9(10(14)15)5-8(16-7)6-17-11-12-3-4-13(11)2/h3-5H,6H2,1-2H3,(H,14,15)