1-azanyl-2-(2-diethylaminoethyl)-9-oxidanylidene-thioxanthene-4-carboxylic acid

Systemtic Name: 1-azanyl-2-(2-diethylaminoethyl)-9-oxidanylidene-thioxanthene-4-carboxylic acid Openeye Name: 1-amino-2-(2-diethylaminoethyl)-9-oxo-thioxanthene-4-carboxylic acid CAS Name: 1-amino-2-(2-diethylaminoethyl)-9-oxo-4-thioxanthenecarboxylic acid IUPAC Name: 1-amino-2-(2-diethylaminoethyl)-9-oxothioxanthene-4-carboxylic acid Traditional Name: 1-amino-2-(2-diethylaminoethyl)-9-keto-thioxanthene-4-carboxylic acid Formula: C20H22N2O3S MolecularWeight: 370.46528

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)CCC1=C(C2=C(C(=C1)C(=O)O)SC3=CC=CC=C3C2=O)N

Isomeric SMILES

CCN(CC)CCC1=C(C2=C(C(=C1)C(=O)O)SC3=CC=CC=C3C2=O)N

InChI

InChI=1S/C20H22N2O3S/c1-3-22(4-2)10-9-12-11-14(20(24)25)19-16(17(12)21)18(23)13-7-5-6-8-15(13)26-19/h5-8,11H,3-4,9-10,21H2,1-2H3,(H,24,25)