ethyl 5-[[2-(5-ethoxy-5-oxidanylidene-pentyl)sulfanyl-1H-indol-3-yl]sulfanyl]pentanoate

Systemtic Name: ethyl 5-[[2-(5-ethoxy-5-oxidanylidene-pentyl)sulfanyl-1H-indol-3-yl]sulfanyl]pentanoate Openeye Name: ethyl 5-[[2-(5-ethoxy-5-oxo-pentyl)sulfanyl-1H-indol-3-yl]sulfanyl]pentanoate CAS Name: 5-[[2-[(5-ethoxy-5-oxopentyl)thio]-1H-indol-3-yl]thio]pentanoic acid ethyl ester IUPAC Name: ethyl 5-[[2-(5-ethoxy-5-oxopentyl)sulfanyl-1H-indol-3-yl]sulfanyl]pentanoate Traditional Name: 5-[[2-[(5-ethoxy-5-keto-pentyl)thio]-1H-indol-3-yl]thio]valeric acid ethyl ester Formula: C22H31NO4S2 MolecularWeight: 437.61584

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CCCCSC1=C(NC2=CC=CC=C21)SCCCCC(=O)OCC

Isomeric SMILES

CCOC(=O)CCCCSC1=C(NC2=CC=CC=C21)SCCCCC(=O)OCC

InChI

InChI=1S/C22H31NO4S2/c1-3-26-19(24)13-7-9-15-28-21-17-11-5-6-12-18(17)23-22(21)29-16-10-8-14-20(25)27-4-2/h5-6,11-12,23H,3-4,7-10,13-16H2,1-2H3