methyl 3-(dimethylamino)-9-oxidanylidene-thioxanthene-1-carboxylate

Systemtic Name: methyl 3-(dimethylamino)-9-oxidanylidene-thioxanthene-1-carboxylate Openeye Name: methyl 3-(dimethylamino)-9-oxo-thioxanthene-1-carboxylate CAS Name: 3-(dimethylamino)-9-oxo-1-thioxanthenecarboxylic acid methyl ester IUPAC Name: methyl 3-(dimethylamino)-9-oxothioxanthene-1-carboxylate Traditional Name: 3-(dimethylamino)-9-keto-thioxanthene-1-carboxylic acid methyl ester Formula: C17H15NO3S MolecularWeight: 313.3709

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)C1=CC2=C(C(=C1)C(=O)OC)C(=O)C3=CC=CC=C3S2

Isomeric SMILES

CN(C)C1=CC2=C(C(=C1)C(=O)OC)C(=O)C3=CC=CC=C3S2

InChI

InChI=1S/C17H15NO3S/c1-18(2)10-8-12(17(20)21-3)15-14(9-10)22-13-7-5-4-6-11(13)16(15)19/h4-9H,1-3H3