7-(ethylamino)-9-oxidanylidene-thioxanthene-3-carboxylic acid

Systemtic Name: 7-(ethylamino)-9-oxidanylidene-thioxanthene-3-carboxylic acid Openeye Name: 7-(ethylamino)-9-oxo-thioxanthene-3-carboxylic acid CAS Name: 7-(ethylamino)-9-oxo-3-thioxanthenecarboxylic acid IUPAC Name: 7-(ethylamino)-9-oxothioxanthene-3-carboxylic acid Traditional Name: 7-(ethylamino)-9-keto-thioxanthene-3-carboxylic acid Formula: C16H13NO3S MolecularWeight: 299.34432

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Descriptors Computed from Structure

Canonical SMILES:

CCNC1=CC2=C(C=C1)SC3=C(C2=O)C=CC(=C3)C(=O)O

Isomeric SMILES

CCNC1=CC2=C(C=C1)SC3=C(C2=O)C=CC(=C3)C(=O)O

InChI

InChI=1S/C16H13NO3S/c1-2-17-10-4-6-13-12(8-10)15(18)11-5-3-9(16(19)20)7-14(11)21-13/h3-8,17H,2H2,1H3,(H,19,20)