7-(2-azanylethylamino)-9-oxidanylidene-thioxanthene-3-carboxylic acid

Systemtic Name: 7-(2-azanylethylamino)-9-oxidanylidene-thioxanthene-3-carboxylic acid Openeye Name: 7-(2-aminoethylamino)-9-oxo-thioxanthene-3-carboxylic acid CAS Name: 7-(2-aminoethylamino)-9-oxo-3-thioxanthenecarboxylic acid IUPAC Name: 7-(2-aminoethylamino)-9-oxothioxanthene-3-carboxylic acid Traditional Name: 7-(2-aminoethylamino)-9-keto-thioxanthene-3-carboxylic acid Formula: C16H14N2O3S MolecularWeight: 314.35896

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC2=C(C=C1C(=O)O)SC3=C(C2=O)C=C(C=C3)NCCN

Isomeric SMILES

C1=CC2=C(C=C1C(=O)O)SC3=C(C2=O)C=C(C=C3)NCCN

InChI

InChI=1S/C16H14N2O3S/c17-5-6-18-10-2-4-13-12(8-10)15(19)11-3-1-9(16(20)21)7-14(11)22-13/h1-4,7-8,18H,5-6,17H2,(H,20,21)