ethyl 3-methylsulfonyl-9-oxidanylidene-thioxanthene-1-carboxylate

Systemtic Name: ethyl 3-methylsulfonyl-9-oxidanylidene-thioxanthene-1-carboxylate Openeye Name: ethyl 3-methylsulfonyl-9-oxo-thioxanthene-1-carboxylate CAS Name: 3-methylsulfonyl-9-oxo-1-thioxanthenecarboxylic acid ethyl ester IUPAC Name: ethyl 3-methylsulfonyl-9-oxothioxanthene-1-carboxylate Traditional Name: 9-keto-3-mesyl-thioxanthene-1-carboxylic acid ethyl ester Formula: C17H14O5S2 MolecularWeight: 362.42006

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC(=CC2=C1C(=O)C3=CC=CC=C3S2)S(=O)(=O)C

Isomeric SMILES

CCOC(=O)C1=CC(=CC2=C1C(=O)C3=CC=CC=C3S2)S(=O)(=O)C

InChI

InChI=1S/C17H14O5S2/c1-3-22-17(19)12-8-10(24(2,20)21)9-14-15(12)16(18)11-6-4-5-7-13(11)23-14/h4-9H,3H2,1-2H3