methyl N-(2-azanylethyl)-7-(dimethylamino)-9,10,10-tris(oxidanylidene)thioxanthene-3-carboximidate

Systemtic Name: methyl N-(2-azanylethyl)-7-(dimethylamino)-9,10,10-tris(oxidanylidene)thioxanthene-3-carboximidate Openeye Name: methyl N-(2-aminoethyl)-7-(dimethylamino)-9,10,10-trioxo-thioxanthene-3-carboximidate CAS Name: N-(2-aminoethyl)-7-(dimethylamino)-9,10,10-trioxo-3-thioxanthenecarboximidic acid methyl ester IUPAC Name: methyl N-(2-aminoethyl)-7-(dimethylamino)-9,10,10-trioxothioxanthene-3-carboximidate Traditional Name: N-(2-aminoethyl)-7-(dimethylamino)-9,10,10-triketo-thioxanthene-3-carboximidic acid methyl ester Formula: C19H21N3O4S MolecularWeight: 387.45274

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)C1=CC2=C(C=C1)S(=O)(=O)C3=C(C2=O)C=CC(=C3)C(=NCCN)OC

Isomeric SMILES

CN(C)C1=CC2=C(C=C1)S(=O)(=O)C3=C(C2=O)C=CC(=C3)C(=NCCN)OC

InChI

InChI=1S/C19H21N3O4S/c1-22(2)13-5-7-16-15(11-13)18(23)14-6-4-12(10-17(14)27(16,24)25)19(26-3)21-9-8-20/h4-7,10-11H,8-9,20H2,1-3H3