ethyl 4-[3-(dicyanomethyl)-4-ethoxy-4-oxidanylidene-butyl]sulfanylbenzoate

Systemtic Name: ethyl 4-[3-(dicyanomethyl)-4-ethoxy-4-oxidanylidene-butyl]sulfanylbenzoate Openeye Name: ethyl 4-[3-(dicyanomethyl)-4-ethoxy-4-oxo-butyl]sulfanylbenzoate CAS Name: 4-[[3-(dicyanomethyl)-4-ethoxy-4-oxobutyl]thio]benzoic acid ethyl ester IUPAC Name: ethyl 4-[3-(dicyanomethyl)-4-ethoxy-4-oxobutyl]sulfanylbenzoate Traditional Name: 4-[(3-carbethoxy-4,4-dicyano-butyl)thio]benzoic acid ethyl ester Formula: C18H20N2O4S MolecularWeight: 360.4274

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC=C(C=C1)SCCC(C(C#N)C#N)C(=O)OCC

Isomeric SMILES

CCOC(=O)C1=CC=C(C=C1)SCCC(C(C#N)C#N)C(=O)OCC

InChI

InChI=1S/C18H20N2O4S/c1-3-23-17(21)13-5-7-15(8-6-13)25-10-9-16(14(11-19)12-20)18(22)24-4-2/h5-8,14,16H,3-4,9-10H2,1-2H3