N-[2-(furan-2-ylmethylsulfanyl)ethyl]-9,10,10-tris(oxidanylidene)thioxanthene-3-carboxamide

Systemtic Name: N-[2-(furan-2-ylmethylsulfanyl)ethyl]-9,10,10-tris(oxidanylidene)thioxanthene-3-carboxamide Openeye Name: N-[2-(2-furylmethylsulfanyl)ethyl]-9,10,10-trioxo-thioxanthene-3-carboxamide CAS Name: N-[2-(2-furanylmethylthio)ethyl]-9,10,10-trioxo-3-thioxanthenecarboxamide IUPAC Name: N-[2-(furan-2-ylmethylsulfanyl)ethyl]-9,10,10-trioxothioxanthene-3-carboxamide Traditional Name: N-[2-(2-furfurylthio)ethyl]-9,10,10-triketo-thioxanthene-3-carboxamide Formula: C21H17NO5S2 MolecularWeight: 427.49338

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=O)C3=C(S2(=O)=O)C=C(C=C3)C(=O)NCCSCC4=CC=CO4

Isomeric SMILES

C1=CC=C2C(=C1)C(=O)C3=C(S2(=O)=O)C=C(C=C3)C(=O)NCCSCC4=CC=CO4

InChI

InChI=1S/C21H17NO5S2/c23-20-16-5-1-2-6-18(16)29(25,26)19-12-14(7-8-17(19)20)21(24)22-9-11-28-13-15-4-3-10-27-15/h1-8,10,12H,9,11,13H2,(H,22,24)