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

Systemtic Name: [1-cyano-2-(1,3-dithiol-2-ylidene)butyl] 2-sulfonylpropanoate Openeye Name: [1-cyano-2-(1,3-dithiol-2-ylidene)butyl] 2-sulfonylpropanoate CAS Name: 2-sulfonylpropanoic acid [1-cyano-2-(1,3-dithiol-2-ylidene)butyl] ester IUPAC Name: [1-cyano-2-(1,3-dithiol-2-ylidene)butyl] 2-sulfonylpropanoate Traditional Name: 2-sulfonylpropionic acid [1-cyano-2-(1,3-dithiol-2-ylidene)butyl] ester Formula: C11H11NO4S3 MolecularWeight: 317.40434

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Descriptors Computed from Structure

Canonical SMILES:

CCC(=C1SC=CS1)C(C#N)OC(=O)C(=S(=O)=O)C

Isomeric SMILES

CCC(=C1SC=CS1)C(C#N)OC(=O)C(=S(=O)=O)C

InChI

InChI=1S/C11H11NO4S3/c1-3-8(11-17-4-5-18-11)9(6-12)16-10(13)7(2)19(14)15/h4-5,9H,3H2,1-2H3