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

Systemtic Name: ethyl 2-[1-cyano-2-(1,3-dithiol-2-ylidene)propyl]sulfonylethanoate Openeye Name: ethyl 2-[1-cyano-2-(1,3-dithiol-2-ylidene)propyl]sulfonylacetate CAS Name: 2-[1-cyano-2-(1,3-dithiol-2-ylidene)propyl]sulfonylacetic acid ethyl ester IUPAC Name: ethyl 2-[1-cyano-2-(1,3-dithiol-2-ylidene)propyl]sulfonylacetate Traditional Name: 2-[1-cyano-2-(1,3-dithiol-2-ylidene)propyl]sulfonylacetic acid ethyl ester Formula: C11H13NO4S3 MolecularWeight: 319.42022

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CS(=O)(=O)C(C#N)C(=C1SC=CS1)C

Isomeric SMILES

CCOC(=O)CS(=O)(=O)C(C#N)C(=C1SC=CS1)C

InChI

InChI=1S/C11H13NO4S3/c1-3-16-10(13)7-19(14,15)9(6-12)8(2)11-17-4-5-18-11/h4-5,9H,3,7H2,1-2H3