4-(ethanethioylamino)-2,5-dimethyl-furan-3-carboxylic acid

Systemtic Name: 4-(ethanethioylamino)-2,5-dimethyl-furan-3-carboxylic acid Openeye Name: 4-(ethanethioylamino)-2,5-dimethyl-furan-3-carboxylic acid CAS Name: 2,5-dimethyl-4-(1-sulfanylideneethylamino)-3-furancarboxylic acid IUPAC Name: 4-(ethanethioylamino)-2,5-dimethylfuran-3-carboxylic acid Traditional Name: 2,5-dimethyl-4-(thioacetylamino)-3-furoic acid Formula: C9H11NO3S MolecularWeight: 213.25354

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=C(O1)C)NC(=S)C)C(=O)O

Isomeric SMILES

CC1=C(C(=C(O1)C)NC(=S)C)C(=O)O

InChI

InChI=1S/C9H11NO3S/c1-4-7(9(11)12)8(5(2)13-4)10-6(3)14/h1-3H3,(H,10,14)(H,11,12)