(4-azanylidene-3-cyano-2-oxidanylidene-pentyl) 2-[(3,4-dichlorophenyl)methylsulfanyl]ethanoate

Systemtic Name: (4-azanylidene-3-cyano-2-oxidanylidene-pentyl) 2-[(3,4-dichlorophenyl)methylsulfanyl]ethanoate Openeye Name: (3-cyano-4-imino-2-oxo-pentyl) 2-[(3,4-dichlorophenyl)methylsulfanyl]acetate CAS Name: 2-[(3,4-dichlorophenyl)methylthio]acetic acid (3-cyano-4-imino-2-oxopentyl) ester IUPAC Name: (3-cyano-4-imino-2-oxopentyl) 2-[(3,4-dichlorophenyl)methylsulfanyl]acetate Traditional Name: 2-[(3,4-dichlorobenzyl)thio]acetic acid (3-cyano-4-imino-2-keto-pentyl) ester Formula: C15H14Cl2N2O3S MolecularWeight: 373.25426

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Descriptors Computed from Structure

Canonical SMILES:

CC(=N)C(C#N)C(=O)COC(=O)CSCC1=CC(=C(C=C1)Cl)Cl

Isomeric SMILES

CC(=N)C(C#N)C(=O)COC(=O)CSCC1=CC(=C(C=C1)Cl)Cl

InChI

InChI=1S/C15H14Cl2N2O3S/c1-9(19)11(5-18)14(20)6-22-15(21)8-23-7-10-2-3-12(16)13(17)4-10/h2-4,11,19H,6-8H2,1H3