(4-azanylidene-3-cyano-2-oxidanylidene-pentyl) 2-(thiophen-2-ylmethylsulfanyl)ethanoate

Systemtic Name: (4-azanylidene-3-cyano-2-oxidanylidene-pentyl) 2-(thiophen-2-ylmethylsulfanyl)ethanoate Openeye Name: (3-cyano-4-imino-2-oxo-pentyl) 2-(2-thienylmethylsulfanyl)acetate CAS Name: 2-(thiophen-2-ylmethylthio)acetic acid (3-cyano-4-imino-2-oxopentyl) ester IUPAC Name: (3-cyano-4-imino-2-oxopentyl) 2-(thiophen-2-ylmethylsulfanyl)acetate Traditional Name: 2-(2-thenylthio)acetic acid (3-cyano-4-imino-2-keto-pentyl) ester Formula: C13H14N2O3S2 MolecularWeight: 310.39186

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Descriptors Computed from Structure

Canonical SMILES:

CC(=N)C(C#N)C(=O)COC(=O)CSCC1=CC=CS1

Isomeric SMILES

CC(=N)C(C#N)C(=O)COC(=O)CSCC1=CC=CS1

InChI

InChI=1S/C13H14N2O3S2/c1-9(15)11(5-14)12(16)6-18-13(17)8-19-7-10-3-2-4-20-10/h2-4,11,15H,6-8H2,1H3