methyl 3-(1-cyano-2-methoxy-2-oxidanylidene-ethyl)-9-oxidanylidene-thioxanthene-1-carboxylate

Systemtic Name: methyl 3-(1-cyano-2-methoxy-2-oxidanylidene-ethyl)-9-oxidanylidene-thioxanthene-1-carboxylate Openeye Name: methyl 3-(1-cyano-2-methoxy-2-oxo-ethyl)-9-oxo-thioxanthene-1-carboxylate CAS Name: 3-(1-cyano-2-methoxy-2-oxoethyl)-9-oxo-1-thioxanthenecarboxylic acid methyl ester IUPAC Name: methyl 3-(1-cyano-2-methoxy-2-oxoethyl)-9-oxothioxanthene-1-carboxylate Traditional Name: 3-(1-cyano-2-keto-2-methoxy-ethyl)-9-keto-thioxanthene-1-carboxylic acid methyl ester Formula: C19H13NO5S MolecularWeight: 367.37522

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC(=CC2=C1C(=O)C3=CC=CC=C3S2)C(C#N)C(=O)OC

Isomeric SMILES

COC(=O)C1=CC(=CC2=C1C(=O)C3=CC=CC=C3S2)C(C#N)C(=O)OC

InChI

InChI=1S/C19H13NO5S/c1-24-18(22)12-7-10(13(9-20)19(23)25-2)8-15-16(12)17(21)11-5-3-4-6-14(11)26-15/h3-8,13H,1-2H3