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

Systemtic Name: diethyl 2-[[(4-butyl-3-octylsulfanyl-phenyl)amino]methylidene]propanedioate Openeye Name: diethyl 2-[(4-butyl-3-octylsulfanyl-anilino)methylene]propanedioate CAS Name: 2-[[4-butyl-3-(octylthio)anilino]methylidene]propanedioic acid diethyl ester IUPAC Name: diethyl 2-[(4-butyl-3-octylsulfanylanilino)methylidene]propanedioate Traditional Name: 2-[[4-butyl-3-(octylthio)anilino]methylene]malonic acid diethyl ester Formula: C26H41NO4S MolecularWeight: 463.67304

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCSC1=C(C=CC(=C1)NC=C(C(=O)OCC)C(=O)OCC)CCCC

Isomeric SMILES

CCCCCCCCSC1=C(C=CC(=C1)NC=C(C(=O)OCC)C(=O)OCC)CCCC

InChI

InChI=1S/C26H41NO4S/c1-5-9-11-12-13-14-18-32-24-19-22(17-16-21(24)15-10-6-2)27-20-23(25(28)30-7-3)26(29)31-8-4/h16-17,19-20,27H,5-15,18H2,1-4H3