diethyl 2-[[(4-butyl-3-octadecylsulfanyl-phenyl)amino]methylidene]propanedioate

Systemtic Name: diethyl 2-[[(4-butyl-3-octadecylsulfanyl-phenyl)amino]methylidene]propanedioate Openeye Name: diethyl 2-[(4-butyl-3-octadecylsulfanyl-anilino)methylene]propanedioate CAS Name: 2-[[4-butyl-3-(octadecylthio)anilino]methylidene]propanedioic acid diethyl ester IUPAC Name: diethyl 2-[(4-butyl-3-octadecylsulfanylanilino)methylidene]propanedioate Traditional Name: 2-[[4-butyl-3-(stearylthio)anilino]methylene]malonic acid diethyl ester Formula: C36H61NO4S MolecularWeight: 603.93884

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCCSC1=C(C=CC(=C1)NC=C(C(=O)OCC)C(=O)OCC)CCCC

Isomeric SMILES

CCCCCCCCCCCCCCCCCCSC1=C(C=CC(=C1)NC=C(C(=O)OCC)C(=O)OCC)CCCC

InChI

InChI=1S/C36H61NO4S/c1-5-9-11-12-13-14-15-16-17-18-19-20-21-22-23-24-28-42-34-29-32(27-26-31(34)25-10-6-2)37-30-33(35(38)40-7-3)36(39)41-8-4/h26-27,29-30,37H,5-25,28H2,1-4H3