5-[(4-acetamido-9-oxidanylidene-thioxanthen-1-yl)amino]benzene-1,3-dicarboxylic acid

Systemtic Name: 5-[(4-acetamido-9-oxidanylidene-thioxanthen-1-yl)amino]benzene-1,3-dicarboxylic acid Openeye Name: 5-[(4-acetamido-9-oxo-thioxanthen-1-yl)amino]benzene-1,3-dicarboxylic acid CAS Name: 5-[(4-acetamido-9-oxo-1-thioxanthenyl)amino]benzene-1,3-dicarboxylic acid IUPAC Name: 5-[(4-acetamido-9-oxothioxanthen-1-yl)amino]benzene-1,3-dicarboxylic acid Traditional Name: 5-[(4-acetamido-9-keto-thioxanthen-1-yl)amino]isophthalic acid Formula: C23H16N2O6S MolecularWeight: 448.44794

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC1=C2C(=C(C=C1)NC3=CC(=CC(=C3)C(=O)O)C(=O)O)C(=O)C4=CC=CC=C4S2

Isomeric SMILES

CC(=O)NC1=C2C(=C(C=C1)NC3=CC(=CC(=C3)C(=O)O)C(=O)O)C(=O)C4=CC=CC=C4S2

InChI

InChI=1S/C23H16N2O6S/c1-11(26)24-17-7-6-16(19-20(27)15-4-2-3-5-18(15)32-21(17)19)25-14-9-12(22(28)29)8-13(10-14)23(30)31/h2-10,25H,1H3,(H,24,26)(H,28,29)(H,30,31)