(phenylmethyl) 2-cyano-2-[4-(1-cyano-2-oxidanylidene-2-phenylmethoxy-ethylidene)-1,3-dithietan-2-ylidene]ethanoate

Systemtic Name: (phenylmethyl) 2-cyano-2-[4-(1-cyano-2-oxidanylidene-2-phenylmethoxy-ethylidene)-1,3-dithietan-2-ylidene]ethanoate Openeye Name: benzyl 2-[4-(2-benzyloxy-1-cyano-2-oxo-ethylidene)-1,3-dithietan-2-ylidene]-2-cyano-acetate CAS Name: 2-cyano-2-[4-(1-cyano-2-oxo-2-phenylmethoxyethylidene)-1,3-dithietan-2-ylidene]acetic acid (phenylmethyl) ester IUPAC Name: benzyl 2-cyano-2-[4-(1-cyano-2-oxo-2-phenylmethoxyethylidene)-1,3-dithietan-2-ylidene]acetate Traditional Name: 2-[4-(2-benzoxy-1-cyano-2-keto-ethylidene)-1,3-dithietan-2-ylidene]-2-cyano-acetic acid benzyl ester Formula: C22H14N2O4S2 MolecularWeight: 434.48756

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)COC(=O)C(=C2SC(=C(C#N)C(=O)OCC3=CC=CC=C3)S2)C#N

Isomeric SMILES

C1=CC=C(C=C1)COC(=O)C(=C2SC(=C(C#N)C(=O)OCC3=CC=CC=C3)S2)C#N

InChI

InChI=1S/C22H14N2O4S2/c23-11-17(19(25)27-13-15-7-3-1-4-8-15)21-29-22(30-21)18(12-24)20(26)28-14-16-9-5-2-6-10-16/h1-10H,13-14H2