2-(2-azanylethyl)-9-oxidanylidene-thioxanthene-1-carboxylic acid

Systemtic Name: 2-(2-azanylethyl)-9-oxidanylidene-thioxanthene-1-carboxylic acid Openeye Name: 2-(2-aminoethyl)-9-oxo-thioxanthene-1-carboxylic acid CAS Name: 2-(2-aminoethyl)-9-oxo-1-thioxanthenecarboxylic acid IUPAC Name: 2-(2-aminoethyl)-9-oxothioxanthene-1-carboxylic acid Traditional Name: 2-(2-aminoethyl)-9-keto-thioxanthene-1-carboxylic acid Formula: C16H13NO3S MolecularWeight: 299.34432

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=O)C3=C(S2)C=CC(=C3C(=O)O)CCN

Isomeric SMILES

C1=CC=C2C(=C1)C(=O)C3=C(S2)C=CC(=C3C(=O)O)CCN

InChI

InChI=1S/C16H13NO3S/c17-8-7-9-5-6-12-14(13(9)16(19)20)15(18)10-3-1-2-4-11(10)21-12/h1-6H,7-8,17H2,(H,19,20)