ethyl 4-(4-cyano-5-ethoxy-5-oxidanylidene-pentyl)sulfanylbenzoate

Systemtic Name: ethyl 4-(4-cyano-5-ethoxy-5-oxidanylidene-pentyl)sulfanylbenzoate Openeye Name: ethyl 4-(4-cyano-5-ethoxy-5-oxo-pentyl)sulfanylbenzoate CAS Name: 4-[(4-cyano-5-ethoxy-5-oxopentyl)thio]benzoic acid ethyl ester IUPAC Name: ethyl 4-(4-cyano-5-ethoxy-5-oxopentyl)sulfanylbenzoate Traditional Name: 4-[(4-cyano-5-ethoxy-5-keto-pentyl)thio]benzoic acid ethyl ester Formula: C17H21NO4S MolecularWeight: 335.41794

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H21NO4S/c1-3-21-16(19)13-7-9-15(10-8-13)23-11-5-6-14(12-18)17(20)22-4-2/h7-10,14H,3-6,11H2,1-2H3