methyl 3-[3,4-bis(chloranyl)-1,2-thiazol-5-yl]-2-cyano-3-oxidanylidene-propanoate

Systemtic Name: methyl 3-[3,4-bis(chloranyl)-1,2-thiazol-5-yl]-2-cyano-3-oxidanylidene-propanoate Openeye Name: methyl 2-cyano-3-(3,4-dichloroisothiazol-5-yl)-3-oxo-propanoate CAS Name: 2-cyano-3-(3,4-dichloro-5-isothiazolyl)-3-oxopropanoic acid methyl ester IUPAC Name: methyl 2-cyano-3-(3,4-dichloro-1,2-thiazol-5-yl)-3-oxopropanoate Traditional Name: 2-cyano-3-(3,4-dichloroisothiazol-5-yl)-3-keto-propionic acid methyl ester Formula: C8H4Cl2N2O3S MolecularWeight: 279.09996

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C(C#N)C(=O)C1=C(C(=NS1)Cl)Cl

Isomeric SMILES

COC(=O)C(C#N)C(=O)C1=C(C(=NS1)Cl)Cl

InChI

InChI=1S/C8H4Cl2N2O3S/c1-15-8(14)3(2-11)5(13)6-4(9)7(10)12-16-6/h3H,1H3