(4-azanylidene-3-cyano-2-oxidanylidene-pentyl) 2-[(5-chloranylthiophen-2-yl)methylsulfanyl]ethanoate

Systemtic Name: (4-azanylidene-3-cyano-2-oxidanylidene-pentyl) 2-[(5-chloranylthiophen-2-yl)methylsulfanyl]ethanoate Openeye Name: (3-cyano-4-imino-2-oxo-pentyl) 2-[(5-chloro-2-thienyl)methylsulfanyl]acetate CAS Name: 2-[(5-chloro-2-thiophenyl)methylthio]acetic acid (3-cyano-4-imino-2-oxopentyl) ester IUPAC Name: (3-cyano-4-imino-2-oxopentyl) 2-[(5-chlorothiophen-2-yl)methylsulfanyl]acetate Traditional Name: 2-[(5-chloro-2-thienyl)methylthio]acetic acid (3-cyano-4-imino-2-keto-pentyl) ester Formula: C13H13ClN2O3S2 MolecularWeight: 344.83692

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Descriptors Computed from Structure

Canonical SMILES:

CC(=N)C(C#N)C(=O)COC(=O)CSCC1=CC=C(S1)Cl

Isomeric SMILES

CC(=N)C(C#N)C(=O)COC(=O)CSCC1=CC=C(S1)Cl

InChI

InChI=1S/C13H13ClN2O3S2/c1-8(16)10(4-15)11(17)5-19-13(18)7-20-6-9-2-3-12(14)21-9/h2-3,10,16H,5-7H2,1H3