2-diethylaminoethyl 9-ethylsulfanylthioxanthene-9-carboxylate

Systemtic Name: 2-diethylaminoethyl 9-ethylsulfanylthioxanthene-9-carboxylate Openeye Name: 2-diethylaminoethyl 9-ethylsulfanylthioxanthene-9-carboxylate CAS Name: 9-(ethylthio)-9-thioxanthenecarboxylic acid 2-diethylaminoethyl ester IUPAC Name: 2-diethylaminoethyl 9-ethylsulfanylthioxanthene-9-carboxylate Traditional Name: 9-(ethylthio)thioxanthene-9-carboxylic acid 2-diethylaminoethyl ester Formula: C22H27NO2S2 MolecularWeight: 401.58528

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)CCOC(=O)C1(C2=CC=CC=C2SC3=CC=CC=C31)SCC

Isomeric SMILES

CCN(CC)CCOC(=O)C1(C2=CC=CC=C2SC3=CC=CC=C31)SCC

InChI

InChI=1S/C22H27NO2S2/c1-4-23(5-2)15-16-25-21(24)22(26-6-3)17-11-7-9-13-19(17)27-20-14-10-8-12-18(20)22/h7-14H,4-6,15-16H2,1-3H3