methyl 5-(2-cyanoethylsulfanyl)-2-oxidanylidene-1,3-dithiole-4-carboxylate

Systemtic Name: methyl 5-(2-cyanoethylsulfanyl)-2-oxidanylidene-1,3-dithiole-4-carboxylate Openeye Name: methyl 5-(2-cyanoethylsulfanyl)-2-oxo-1,3-dithiole-4-carboxylate CAS Name: 5-(2-cyanoethylthio)-2-oxo-1,3-dithiole-4-carboxylic acid methyl ester IUPAC Name: methyl 5-(2-cyanoethylsulfanyl)-2-oxo-1,3-dithiole-4-carboxylate Traditional Name: 5-(2-cyanoethylthio)-2-keto-1,3-dithiole-4-carboxylic acid methyl ester Formula: C8H7NO3S3 MolecularWeight: 261.34108

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=C(SC(=O)S1)SCCC#N

Isomeric SMILES

COC(=O)C1=C(SC(=O)S1)SCCC#N

InChI

InChI=1S/C8H7NO3S3/c1-12-6(10)5-7(13-4-2-3-9)15-8(11)14-5/h2,4H2,1H3