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

Systemtic Name: diethyl 2-[[[4-butyl-3-(2-phenoxyethylsulfanyl)phenyl]amino]methylidene]propanedioate Openeye Name: diethyl 2-[[4-butyl-3-(2-phenoxyethylsulfanyl)anilino]methylene]propanedioate CAS Name: 2-[[4-butyl-3-(2-phenoxyethylthio)anilino]methylidene]propanedioic acid diethyl ester IUPAC Name: diethyl 2-[[4-butyl-3-(2-phenoxyethylsulfanyl)anilino]methylidene]propanedioate Traditional Name: 2-[[4-butyl-3-(2-phenoxyethylthio)anilino]methylene]malonic acid diethyl ester Formula: C26H33NO5S MolecularWeight: 471.60892

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=C(C=C(C=C1)NC=C(C(=O)OCC)C(=O)OCC)SCCOC2=CC=CC=C2

Isomeric SMILES

CCCCC1=C(C=C(C=C1)NC=C(C(=O)OCC)C(=O)OCC)SCCOC2=CC=CC=C2

InChI

InChI=1S/C26H33NO5S/c1-4-7-11-20-14-15-21(27-19-23(25(28)30-5-2)26(29)31-6-3)18-24(20)33-17-16-32-22-12-9-8-10-13-22/h8-10,12-15,18-19,27H,4-7,11,16-17H2,1-3H3