ethyl 2-[1-cyano-2-(1,3-dithiol-2-ylidene)butyl]sulfonylethanoate

Systemtic Name: ethyl 2-[1-cyano-2-(1,3-dithiol-2-ylidene)butyl]sulfonylethanoate Openeye Name: ethyl 2-[1-cyano-2-(1,3-dithiol-2-ylidene)butyl]sulfonylacetate CAS Name: 2-[1-cyano-2-(1,3-dithiol-2-ylidene)butyl]sulfonylacetic acid ethyl ester IUPAC Name: ethyl 2-[1-cyano-2-(1,3-dithiol-2-ylidene)butyl]sulfonylacetate Traditional Name: 2-[1-cyano-2-(1,3-dithiol-2-ylidene)butyl]sulfonylacetic acid ethyl ester Formula: C12H15NO4S3 MolecularWeight: 333.4468

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Descriptors Computed from Structure

Canonical SMILES:

CCC(=C1SC=CS1)C(C#N)S(=O)(=O)CC(=O)OCC

Isomeric SMILES

CCC(=C1SC=CS1)C(C#N)S(=O)(=O)CC(=O)OCC

InChI

InChI=1S/C12H15NO4S3/c1-3-9(12-18-5-6-19-12)10(7-13)20(15,16)8-11(14)17-4-2/h5-6,10H,3-4,8H2,1-2H3