5-(ethanethioylamino)benzene-1,3-dicarboxylic acid

Systemtic Name: 5-(ethanethioylamino)benzene-1,3-dicarboxylic acid Openeye Name: 5-(ethanethioylamino)benzene-1,3-dicarboxylic acid CAS Name: 5-(1-sulfanylideneethylamino)benzene-1,3-dicarboxylic acid IUPAC Name: 5-(ethanethioylamino)benzene-1,3-dicarboxylic acid Traditional Name: 5-(thioacetylamino)isophthalic acid Formula: C10H9NO4S MolecularWeight: 239.24776

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Descriptors Computed from Structure

Canonical SMILES:

CC(=S)NC1=CC(=CC(=C1)C(=O)O)C(=O)O

Isomeric SMILES

CC(=S)NC1=CC(=CC(=C1)C(=O)O)C(=O)O

InChI

InChI=1S/C10H9NO4S/c1-5(16)11-8-3-6(9(12)13)2-7(4-8)10(14)15/h2-4H,1H3,(H,11,16)(H,12,13)(H,14,15)